SCHEMBL9460468

SCHEMBL9460468

C1=CSC(Nc2ccc3c(c2)OCO3)S1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.53
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 12/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
ALDH1A1 P00352 8/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 3/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL20788996 0.74 ULK1 (0.52) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL20789009 0.74 NPC1 (0.55) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL378949 0.73 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL23873646 0.72 NPC1 (0.57) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL1920755 0.71 NPC1 (0.60) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL6393394 0.70 MAPT (0.52) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL12613199 0.70 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL10089578 0.70 MAPT (0.58) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL761129 0.70 MAPT (0.58) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL29528582 0.70 MAPT (0.58) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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-5227398-A BENZODIOXOLE DERIVATIVES AND HEPATOPATHY IMPROVERS COMPRISING THE SAME TSUMURA & CO. (JP) 1993-07-13 US disclosed
EP-0488144-A1 Benzodioxole derivatives and hepatopathy improvers comprising the same TSUMURA & CO. (JP) 1992-06-03 EP disclosed