SCHEMBL2297923

SCHEMBL2297923

CSc1cc(C)nc(SC)c1C(C(N)=O)N1CCN(CCSc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 8/20 0.68
RAB9A P51151 2/20 0.46
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 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
Hydrochloric Acid SCHEMBL1704974 0.81 SOAT1 (0.79) SOAT1RAB9AGRIN2AGRIN2BLMNA
SCHEMBL960484 0.80 SOAT1 (1.00) SOAT1RAB9AGRIN2AGRIN2BLMNA
SCHEMBL29845569 0.80 SOAT1 (1.00) SOAT1RAB9AGRIN2AGRIN2BLMNA
Hydrochloric Acid SCHEMBL29972967 0.80 SOAT1 (1.00) SOAT1RAB9AGRIN2AGRIN2BLMNA
Hydrochloric Acid SCHEMBL6283825 0.80 SOAT1 (1.00) SOAT1RAB9AGRIN2AGRIN2BLMNA
Hydrochloric Acid SCHEMBL1704627 0.80 SOAT1 (1.00) SOAT1RAB9AGRIN2AGRIN2BLMNA
SCHEMBL16696509 0.74 SOAT1 (0.85) SOAT1RAB9AGRIN2AGRIN2BLMNA
SCHEMBL6102306 0.74 SOAT1 (0.78) SOAT1RAB9ALMNATSHRMAPT
SCHEMBL6279621 0.72 SOAT1 (0.81) SOAT1RAB9AGRIN2AGRIN2BLMNA
SCHEMBL6279700 0.72 SOAT1 (0.84) SOAT1RAB9ALMNATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207742-A1 METHOD FOR REDUCTION, STABILIZATION AND PREVENTION OF RUPTURE OF LIPID RICH PLAQUE KOWA CO., LTD. (JP) 2011-08-25 US claimed