SCHEMBL855012

SCHEMBL855012

O=C1OC(=O)c2c(Cl)ccc(F)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
TYMS P04818 1/20 0.37
PBRM1 Q86U86 2/20 0.33
ADORA2A P29274 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES1 P23141 2/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL581013 0.86 ALOX15 (0.41) ALDH1A1TSHRTYMSNPC1CASP3
SCHEMBL542 0.86 TSHR (0.52) ALDH1A1TSHRTYMSADORA2ACES1
SCHEMBL29476089 0.86 ALOX15 (0.41) ALDH1A1TSHRTYMSNPC1CASP3
SCHEMBL29555800 0.86 TSHR (0.52) ALDH1A1TSHRTYMSADORA2ACES1
SCHEMBL18789227 0.83 ALDH1A1 (0.65) ALDH1A1TSHRNPC1CASP3RAB9A
SCHEMBL19585963 0.74 ACHE (0.36) ALDH1A1TSHRNPC1CASP3RAB9A
SCHEMBL855199 0.74 TSHR (0.41) ALDH1A1TSHRL3MBTL1ALOX15TDP1
SCHEMBL7483193 0.74 ALOX15 (0.32) ALDH1A1TSHRALOX15TDP1
SCHEMBL13991787 0.72 TSHR (0.39) ALDH1A1TSHR
SCHEMBL855163 0.72 ALDH1A1 (0.50) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604221-B2 Production method of halogen-substituted phthalide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-10 US disclosed
US-20120142946-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
EP-2433933-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
EP-1097125-B1 PROCESS FOR THE PREPARATION OF 1,4-BIS[[2-(DIMETHYLAMINO)ETHYL AMINO]-5,8-DIHYDROXYANTHRACENE-9,10-DIONE BTG INTERNAT LTD COMPANY NO 26 (GB) 2004-09-29 EP disclosed
US-6320063-B1 HEATING DICHLOROPHTHALIC ANHYDRIDE OVER LAYER OF POWDERED ANHYDROUS SODIUM AND/OR POTASSIUM FLUORIDE UNDER NITROGEN ATMOSPHERE TO PRODUCE DIFLUOROPHTHALIC ANHYDRIDE INTERMEDIATE BTG INTERNATIONAL LIMITED (GB) 2001-11-20 US disclosed
EP-1097125-A1 PROCESS FOR THE PREPARATION OF 1,4-BIS[[2-(DIMETHYLAMINO)ETHYL AMINO]-5,8-DIHYDROXYANTHRACENE-9,10-DIONE BTG INTERNATIONAL LIMITED (Company No. 2664412) (GB) 2001-05-09 EP disclosed
WO-2000005194-A1 PROCESS FOR THE PREPARATION OF 1,4-BIS[[2- (DIMETHYLAMINO) ETHYL] AMINO] -5,8- DIHYDROXYANTHRACENE- 9,10-DIONE BTG INTERNATIONAL LIMITED (GB) 2000-02-03 WO disclosed