SCHEMBL3398387

SCHEMBL3398387

Cc1cc(-c2cccc(Cl)c2)nn1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
PDE4B Q07343 1/20 0.49
KMO O15229 2/20 0.47
PIN1 Q13526 1/20 0.44
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
CNR2 P34972 1/20 0.43
MDM2 Q00987 1/20 0.42
ABL1 P00519 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL3399098 0.82 PDE4B (0.49) PDE4BKMOPIN1GAAMAPK1
SCHEMBL13425935 0.81 PTGS2 (0.47) PTGS2PDE4BKMOPKMMAPT
SCHEMBL8624064 0.81 PTGS2 (0.47) PTGS2PDE4BKMOMAPTNPC1
SCHEMBL3395650 0.80 KMO (0.49) KMOMAPTCNR2MDM2ABL1
SCHEMBL8311952 0.79 LMNA (0.51) PTGS2KMOMAPTGAARAB9A
SCHEMBL8311450 0.78 PTGS2 (0.44) PTGS2PDE4BKMOPIN1MAPT
SCHEMBL3395714 0.77 ENPP3 (0.36) PDE4BPKMMAPTGAAMAPK1
SCHEMBL3395627 0.77 ALPL (0.47) NPC1RAB9A
SCHEMBL3395935 0.77 ENPP3 (0.39) PTGS2KMOPKMMAPTNPC1
SCHEMBL3433500 0.75 PDE4B (0.48) PDE4BNPC1TP53

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed