SCHEMBL10866252

SCHEMBL10866252

COc1c(C)cnc(CSc2nc3ccccc3s2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.49
ALDH1A1 P00352 8/20 0.49
MAPT P10636 6/20 0.49
HSD17B10 Q99714 5/20 0.49
MAPK1 P28482 6/20 0.48
TSHR P16473 4/20 0.48
KMT2A Q03164 3/20 0.48
CASP1 P29466 2/20 0.48
MEN1 O00255 2/20 0.48
BRS3 P32247 1/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 1/20 0.48
SMN1; SMN2 Q16637 8/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
KDM4E B2RXH2 4/20 0.46

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
SCHEMBL6474161 0.76 SHMT2 (0.51) SHMT2ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL10867601 0.75 KMT2A (0.43) SHMT2ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL10867894 0.74 SHMT2 (0.72) SHMT2ALDH1A1MAPTHSD17B10MAPK1
SCHEMBL10578851 0.74 BRS3 (0.74) SHMT2MAPTKMT2AMEN1BRS3
SCHEMBL3379391 0.74 SHMT2 (0.48) SHMT2ALDH1A1MAPTTSHRKMT2A
SCHEMBL8500397 0.73 ALDH1A1 (0.48) ALDH1A1MAPTHSD17B10MAPK1TSHR
SCHEMBL141138 0.73 ALDH1A1 (0.70) ALDH1A1MAPTHSD17B10MAPK1TSHR
SCHEMBL18443070 0.72 ELANE (0.56) ALDH1A1MAPTHSD17B10MAPK1TSHR
SCHEMBL25538982 0.72 MAPK1 (0.58) ALDH1A1MAPTHSD17B10MAPK1TSHR
SCHEMBL10584394 0.72 SHMT2 (0.47) SHMT2MAPTHSD17B10KMT2ABRS3

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
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 EP disclosed