SCHEMBL11209573

SCHEMBL11209573

C=CC(=O)NCc1ccc(Nc2ccccc2C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
EGFR P00533 2/20 0.43
BTK Q06187 1/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RORC P51449 6/20 0.41
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 2/20 0.38
PDGFRA P16234 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL11204026 0.87 BTK (0.53) GAAKMT2AEGFRBTKMAPK13
SCHEMBL5082541 0.79 KMT2A (0.67) GAAKMT2ANPC1RAB9AHPGD
SCHEMBL5082960 0.77 NPC1 (0.55) GAAKMT2ANPC1RAB9AHPGD
SCHEMBL9634503 0.76 TGM2 (0.44) GAAKMT2AEGFRBTKNPC1
SCHEMBL59858 0.71 TGM2 (0.55) GAAKMT2ANPC1RAB9AHPGD
SCHEMBL24112688 0.71 TGM2 (0.45) GAAKMT2AEGFRNPC1RAB9A
SCHEMBL8765952 0.71 GAA (0.51) GAAKMT2AEGFRBTKHPGD
SCHEMBL648951 0.68 NPC1 (0.62) GAAEGFRNPC1RAB9AHPGD
SCHEMBL27965029 0.68 TGM2 (0.41) GAAKMT2AEGFRBTKNPC1
SCHEMBL27718637 0.68 MAPK13 (0.59) KMT2AMAPK13MAPK12MAPK11MAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028999-B1 PROCESS FOR THE PREPARATION OF ANTIOXIDANT AMIDES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-03-23 EP disclosed
US-4286105-A AMIDATION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-08-25 US disclosed
EP-0028999-A1 Process for the preparation of antioxidant amides THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-05-20 EP disclosed