SCHEMBL10693207

SCHEMBL10693207

O=C(CBr)c1ccc2c(c1)CCCS2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 1/20 0.45
GNB1 P62873 1/20 0.45
PTPN1 P18031 6/20 0.41
GSK3B P49841 11/20 0.40
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTNNB1 P35222 2/20 0.37
WNT3A P56704 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10693463 0.85 ATM (0.42) GNG2GNB1MAPTTDP1CTNNB1
SCHEMBL8102062 0.84 ALDH1A1 (0.39) MAPTTDP1CTNNB1WNT3AALDH1A1
SCHEMBL10691604 0.82 HPGD (0.44) GNG2GNB1MAPTCTNNB1WNT3A
SCHEMBL24124966 0.81 RYR2 (0.38) GSK3BMAPTTDP1CTNNB1WNT3A
SCHEMBL7765239 0.81 ALDH1A1 (0.58) MAPTTDP1ALDH1A1
SCHEMBL10779070 0.81 ATM (0.41) GNG2GNB1MAPTTDP1CTNNB1
SCHEMBL10688073 0.80 HSD17B3 (0.45) CTNNB1WNT3A
SCHEMBL4694745 0.80 MAPT (0.47) MAPTTDP1ALDH1A1
SCHEMBL24124204 0.80 ALDH1A1 (0.40) MAPTALDH1A1
SCHEMBL7084031 0.79 HSD17B3 (0.47) MAPTCTNNB1WNT3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4791104-A HYPOTENSIVE, ANTILIPEMIC, ANTIHROMBOTIC, ANTIHYPOXIC AGENTS MAGGIONI-WINTHROP S.P.A. (IT) 1988-12-13 US disclosed
WO-1987002359-A1 DIHYDROBENZOTHIOPHENE AND THIOCHROMANE AMINOALCOHOLS MAGGIONI-WINTHROP S.P.A. (IT) 1987-04-23 WO disclosed