SCHEMBL335247

SCHEMBL335247

O=C1NC(=O)c2c(CCCBr)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 5/20 0.39
CASP3 P42574 7/20 0.36
CASP7 P55210 2/20 0.36
CASP2 P42575 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
GSK3A P49840 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PDGFRA P16234 1/20 0.35
FER P16591 1/20 0.35
LTK P29376 1/20 0.35
CDK8 P49336 1/20 0.35
ACVR1 Q04771 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL28389634 0.98 GSK3B (0.39) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL1234203 0.95 GSK3B (0.39) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL9152783 0.94 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL9151570 0.94 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL31036258 0.94 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL133934 0.94 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL4909203 0.94 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL4026807 0.94 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL8938070 0.94 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL4206081 0.94 GSK3B (0.38) GSK3BKDM4EALDH1A1GAAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 499 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4724442-A1 AGONISM-ANTAGONISM IN ENDOSOMAL TLRS BY MODULATING CHEMICAL FEATURES IN 8-OXOPURINE: PROCESS FOR PREPARATION AND APPLICATION THEREOF Council of Scientific and Industrial Research (IN) 2026-04-15 EP claimed
CN-113968809-B Chemical synthesis method of melatonin 太阳树(莆田)生物医药有限公司 2024-08-30 CN claimed
CN-113968809-A Chemical synthesis method of melatonin 太阳树(莆田)生物医药有限公司 2022-01-25 CN claimed
US-RE35631-E Method of production of essentially pure melatonin and the method of solubilizing melatonin in water IFLO S.A.S. (IT) 1997-10-14 US claimed
EP-0330625-B1 Total synthesis method for making an indole structure derivative product class, of the triptamine type, in particular, melatonin or N-acetyl-5-methoxytriptamine type, having a high purity degree and easily soluble, for therapeutic use against acquired immuno-deficiency syndromes I F L O S A S DI GIORGIO E ALD (IT) 1995-12-20 EP claimed
EP-0220409-B1 GEM-DIHALO AND TETRAHALO-1,12-DIAMINO-4,9-DIAZA-DODECANES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-11-27 EP claimed
EP-0215319-B1 GEM-DIHALO-1,8-DIAMINO-4-AZA-OCTANES MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-16 EP claimed
US-4914240-A PROTECTING DIHALO BUTANEDIOL, REACTING WITH POTASSIUM PHTHALIMINDE, DEPROTECTING; MULTISTEP MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-03 US claimed
EP-0330625-A2 Total synthesis method for making an indole structure derivative product class, of the triptamine type, in particular, melatonin or N-acetyl-5-methoxytriptamine type, having a high purity degree and easily soluble, for therapeutic use against acquired immuno-deficiency syndromes I.F.L.O. S.a.s. di Giorgio e Aldo Laguzzi (IT) 1989-08-30 EP claimed
EP-0220409-A2 Gem-dihalo and tetrahalo-1,12-diamino-4,9-diaza-dodecanes MERRELL DOW PHARMACEUTICALS INC. (US) 1987-05-06 EP claimed
EP-0215319-A2 Gem-dihalo-1,8-diamino-4-aza-octanes MERRELL DOW PHARMACEUTICALS INC. (US) 1987-03-25 EP claimed
JP-7002741-A None JP disclosed
JP-8100129-A None JP disclosed
JP-2003680-A None JP disclosed
EP-4724442-A1 AGONISM-ANTAGONISM IN ENDOSOMAL TLRS BY MODULATING CHEMICAL FEATURES IN 8-OXOPURINE: PROCESS FOR PREPARATION AND APPLICATION THEREOF Council of Scientific and Industrial Research (IN) 2026-04-15 EP disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-4013769-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-22 US disclosed
US-4000302-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-12-28 US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed