SCHEMBL10693463

SCHEMBL10693463

CCC(=O)c1ccc2c(c1)CCCS2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 1/20 0.40
CTNNB1 P35222 2/20 0.37
WNT3A P56704 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.36
GNG2 P59768 1/20 0.36
GNB1 P62873 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10779070 0.95 ATM (0.41) ATMMAPTALDH1A1HPGDTSHR
SCHEMBL10687927 0.91 ATM (0.44) ATMMAPTALDH1A1HPGDTSHR
SCHEMBL10691604 0.88 HPGD (0.44) MAPTALDH1A1HPGDCTNNB1WNT3A
SCHEMBL10688073 0.86 HSD17B3 (0.45) CTNNB1WNT3ASIGMAR1
SCHEMBL10693207 0.85 GNG2 (0.45) MAPTALDH1A1CTNNB1WNT3AGNG2
SCHEMBL7084031 0.85 HSD17B3 (0.47) ATMMAPTALDH1A1CTNNB1WNT3A
SCHEMBL8102062 0.84 ALDH1A1 (0.39) MAPTALDH1A1HPGDCTNNB1WNT3A
SCHEMBL27534622 0.83 ALDH1A1 (0.39) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4694745 0.83 MAPT (0.47) MAPTALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL8071531 0.82 ALDH1A1 (0.36) MAPTALDH1A1HPGDCTNNB1WNT3A

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
US-4638070-A HYPOTENSIVE CONTINENTAL PHARMA (BE) 1987-01-20 US disclosed