SCHEMBL7807900

SCHEMBL7807900

O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.67
MAPT P10636 4/20 0.66
ALDH1A1 P00352 3/20 0.66
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 1/20 0.63
HPGD P15428 1/20 0.63
STAT3 P40763 1/20 0.62
RAB9A P51151 1/20 0.62
HSD17B10 Q99714 1/20 0.62
GLA P06280 1/20 0.61
HDAC1 Q13547 3/20 0.61
SLC6A2 P23975 1/20 0.60
FNTA P49354 1/20 0.60
FNTB P49356 1/20 0.60
MAPK8 P45983 1/20 0.60
LMNA P02545 1/20 0.59

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
SCHEMBL31218207 1.00 HRH3 (0.67) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL27333111 0.90 HRH3 (0.67) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL11189753 0.89 HRH3 (0.67) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL18229461 0.89 HRH3 (0.65) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL18229442 0.89 HRH3 (0.69) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL28374001 0.89 GLA (0.62) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL9202235 0.87 CFTR (0.57) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL18229439 0.86 HRH3 (0.77) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL25802387 0.86 HRH3 (0.66) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL27332104 0.86 MEN1 (0.61) HRH3MAPTALDH1A1MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016181414-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-17 WO claimed
EP-0754041-A4 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMA (US) 1997-11-19 EP claimed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 EP claimed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 WO claimed
US-5403851-A Central nervous system and psychological disorders INTERNEURON PHARMACEUTICALS, INC. (US) 1995-04-04 US claimed
CN-111303054-B 3-acylamino-1, 3-quinazoline-2-ketone compound and preparation method and application thereof 湖南科技大学 2023-04-07 CN disclosed
WO-2016181414-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-17 WO disclosed
EP-0953872-B1 Photographic element containing improved acylacetamido yellow dye-forming coupler EASTMAN KODAK CO (US) 2001-08-22 EP disclosed
US-5998107-A TRIAZINE DERIVATIVE OF A 3-INDOLOACETANILIDE EASTMAN KODAK COMPANY (US) 1999-12-07 US disclosed
EP-0953872-A1 Photographic element containing improved acylacetamido yellow dye-forming coupler EASTMAN KODAK COMPANY (US) 1999-11-03 EP disclosed