SCHEMBL22925872

SCHEMBL22925872

COc1ccc(COc2cnc(Br)cc2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
MAOA P21397 1/20 0.50
CSF1R P07333 3/20 0.46
XDH P47989 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KIT P10721 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
APP P05067 3/20 0.40

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
SCHEMBL29620984 1.00 MAOB (0.50) MAOBMAOACSF1RXDHNPC1
SCHEMBL18894310 0.84 MAOB (0.45) MAOBMAOACSF1RXDHNPC1
SCHEMBL22925707 0.82 CSF1R (0.49) MAOBCSF1RNPC1RAB9AKIT
SCHEMBL29620947 0.82 CSF1R (0.49) MAOBCSF1RNPC1RAB9AKIT
SCHEMBL31403188 0.81 MAOB (0.63) MAOBMAOAXDHNPC1RAB9A
SCHEMBL27177208 0.81 MAOB (0.59) MAOBMAOAXDHFNTAFNTB
SCHEMBL27038643 0.78 ALDH1A1 (0.44)
SCHEMBL22323976 0.77 CSF1R (0.44) MAOBMAOACSF1RNPC1RAB9A
SCHEMBL22969739 0.77 NPC1 (0.46) MAOBCSF1RNPC1RAB9AAPP
SCHEMBL27107675 0.77 NPC1 (0.46) MAOBCSF1RNPC1RAB9AAPP

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-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 WO disclosed