SCHEMBL20054832

SCHEMBL20054832

CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 8/20 0.53
FABP3 P05413 4/20 0.53
FABP5 Q01469 3/20 0.52
FABP1 P07148 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS2 P35354 4/20 0.44
PTGS1 P23219 3/20 0.44
NR4A3 Q92570 1/20 0.43

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
SCHEMBL23401710 0.83 NR4A3 (0.44) FABP4FABP3FABP5FABP1MEN1
SCHEMBL23398985 0.83 MEN1 (0.48) FABP4FABP3FABP5FABP1MEN1
SCHEMBL8766292 0.83 NPC1 (0.45) FABP4FABP3MEN1KMT2ANPC1
SCHEMBL13013589 0.80 POLB (0.58) FABP4FABP3FABP5FABP1MEN1
SCHEMBL14365554 0.80 FABP4 (0.56) FABP4FABP3FABP5FABP1MEN1
Isofezolac SCHEMBL25481 0.79 ALDH1A1 (0.52) FABP4FABP3FABP5FABP1MEN1
SCHEMBL11405385 0.77 MEN1 (0.63) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3478412 0.76 MEN1 (0.48) FABP4FABP3FABP5FABP1MEN1
SCHEMBL23402133 0.75 KMT2A (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23401336 0.75 NPC1 (0.42) FABP4FABP3FABP5FABP1MEN1

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
EP-2863921-B1 POLYMER-NSAID CONJUGATE POLYACTIVA PTY LTD (AU) 2018-04-18 EP disclosed