SCHEMBL8998856

SCHEMBL8998856

COc1ccc2c(c1)CC(=S)N2C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.47
DRD5 P21918 8/20 0.47
DRD2 P14416 7/20 0.47
DRD3 P35462 7/20 0.47
LMNA P02545 1/20 0.45
DRD4 P21917 5/20 0.43
SNCA P37840 3/20 0.43
NOTUM Q6P988 1/20 0.42
RYR2 Q92736 1/20 0.42
HSD17B10 Q99714 1/20 0.39
METAP1 P53582 1/20 0.39
BCL2 P10415 1/20 0.39

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
SCHEMBL8999126 0.86 DRD1 (0.47) DRD1DRD5DRD2DRD3LMNA
SCHEMBL38662728 0.85 DRD1 (0.58) DRD1DRD5DRD2DRD3LMNA
SCHEMBL6603135 0.85 NOTUM (0.48) DRD1DRD5DRD2DRD3LMNA
SCHEMBL8998941 0.80 MAPT (0.39) LMNANOTUM
SCHEMBL578369 0.79 LMNA (0.60) DRD1DRD5DRD2DRD3LMNA
SCHEMBL29637994 0.78 DRD1 (0.56) DRD1DRD5DRD2DRD3LMNA
SCHEMBL8999017 0.77 PDE5A (0.39) NOTUMHSD17B10METAP1
SCHEMBL8999236 0.75 IDO1 (0.38) HSD17B10METAP1
SCHEMBL8999231 0.75 ALDH1A1 (0.41) NOTUM
SCHEMBL6603783 0.75 DRD1 (0.46) DRD1DRD5DRD2DRD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 WO disclosed
US-5030646-A Treatment of diseases resulting from disfunction of seretoninergic system ADIR ET COMPAGNIE (FR) 1991-07-09 US disclosed