SCHEMBL11067252

SCHEMBL11067252

CCc1nc2ccn(-c3ccccc3)n2c(=O)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR4A3 Q92570 1/20 0.35
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
P2RX3 P56373 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL11071312 0.82 CYP1A2 (0.40) ALDH1A1KDM4EMAPK1HSD17B10CYP2C9
SCHEMBL11067299 0.78 MEN1 (0.43) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL11071338 0.73 POLB (0.43) ALDH1A1HPGDKDM4ELMNAMAPK1
SCHEMBL11066940 0.71 NOTUM (0.39) KDM4ELMNAMEN1KMT2APOLB
SCHEMBL11071371 0.71 NOTUM (0.39) FABP3FABP4ALDH1A1KDM4ELMNA
SCHEMBL11068662 0.71 PKM (0.46) FABP3FABP4ALDH1A1HPGDKDM4E
SCHEMBL11697870 0.70 KDM4E (0.42) FABP3FABP4FABP5ALOX15ALDH1A1
SCHEMBL11075539 0.69 USP2 (0.44) ALOX15ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11077329 0.68 KDM4E (0.47) ALOX15ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11072647 0.68 TSHR (0.46) ALOX15ALDH1A1HPGDKDM4ELMNA

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
US-4482555-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS, AND ANALGESIC FARMITALIA CARLO ERBA S.P.A. (IT) 1984-11-13 US disclosed