SCHEMBL9739241

SCHEMBL9739241

COc1ccc2[c]cccc2c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
IDO1 P14902 1/20 0.36
EP300 Q09472 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
NQO1 P15559 1/20 0.34
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 4/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL4308681 0.81 SMN1; SMN2 (0.40) MAPTIDO1EP300KAT8NQO1
SCHEMBL8904048 0.80 NSD2 (0.36) MAPTIDO1EP300KAT8NQO1
SCHEMBL383902 0.77 CA1 (0.41) MAPTIDO1EP300KAT8NQO1
SCHEMBL4307895 0.76 CYP1A2 (0.45) ALDH1A1HPGDTSHRL3MBTL1HSD17B10
SCHEMBL28957180 0.76 CA1 (0.39) MAPTIDO1EP300KAT8NQO1
SCHEMBL9740648 0.75 TDP1 (0.43) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL2411016 0.72 CYP1A2 (0.32)
SCHEMBL1193385 0.71 EP300 (0.47) MAPTIDO1EP300KAT8NQO1
SCHEMBL148270 0.71 IDO1 (0.44) MAPTIDO1EP300KAT8NQO1
SCHEMBL7753169 0.71 IDO1 (0.44) MAPTIDO1EP300KAT8NQO1

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed