SCHEMBL24617232

SCHEMBL24617232

COC(=O)c1cccc(Cn2ccc3cc(Br)ncc3c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
MAPK10 P53779 2/20 0.48
YTHDC1 Q96MU7 1/20 0.46
ABHD6 Q9BV23 1/20 0.44
MAPK8 P45983 1/20 0.44
EGLN1 Q9GZT9 3/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
OPRD1 P41143 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MAPT P10636 1/20 0.41
USP2 O75604 1/20 0.41
CD74 P04233 1/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL29779107 1.00 IDO1 (0.48) IDO1MAPK10YTHDC1ABHD6MAPK8
SCHEMBL29136068 0.88 EGLN1 (0.53) YTHDC1EGLN1
SCHEMBL30656517 0.88 EGLN1 (0.53) YTHDC1EGLN1
SCHEMBL29136034 0.87 EGLN1 (0.50) IDO1YTHDC1EGLN1
SCHEMBL6179524 0.82 MAPK8 (0.56) IDO1MAPK10YTHDC1ABHD6MAPK8
SCHEMBL6247623 0.81 IDO1 (0.48) IDO1MAPK10YTHDC1ABHD6MAPK8
SCHEMBL2116294 0.76 IDO1 (0.44) IDO1MAPK10YTHDC1ABHD6MAPK8
SCHEMBL4389849 0.74 MAPK14 (0.67) IDO1MAPK10MAPK8OPRD1MAPT
SCHEMBL29779016 0.74 IDO1 (0.54) IDO1MAPK10YTHDC1ABHD6MAPK8
SCHEMBL29779014 0.74 ROCK2 (0.45) IDO1MAPK10YTHDC1ABHD6MAPK8

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
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 WO disclosed