SCHEMBL22925751

SCHEMBL22925751

COc1ccc(COc2cc(Br)cnc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
CSF1R P07333 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NTRK1 P04629 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
CCR5 P51681 1/20 0.41
LRRK2 Q5S007 1/20 0.41
KIT P10721 1/20 0.40
APP P05067 3/20 0.40
PDE2A O00408 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOD2 Q9HC29 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
SCHEMBL29620899 1.00 MAOB (0.44) MAOBMAOACSF1RNPC1RAB9A
SCHEMBL16740400 0.86 CSF1R (0.47) MAOBCSF1RNPC1RAB9AKIT
SCHEMBL20447822 0.84 NPC1 (0.47) CSF1RNPC1RAB9AKITAPP
SCHEMBL20607927 0.83 GCK (0.46) MAOBSMN1; SMN2
SCHEMBL28988132 0.80 NPC1 (0.49) MAOBCSF1RNPC1RAB9ANTRK1
SCHEMBL30388779 0.80 NPC1 (0.49) MAOBCSF1RNPC1RAB9ANTRK1
SCHEMBL25385270 0.78 CCR5 (0.46) MAOBCSF1RNPC1RAB9ANTRK1
SCHEMBL27177208 0.78 MAOB (0.59) MAOBMAOACCR5LRRK2APP
SCHEMBL30574868 0.78 CCR5 (0.46) MAOBCSF1RNPC1RAB9ANTRK1
SCHEMBL1629163 0.78 USP8 (0.38) RAB9ADYRK1BSMN1; SMN2

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
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 WO disclosed