SCHEMBL19980139

SCHEMBL19980139

CCCOc1ccc(CC)cc1N(C)C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.40
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
HPGD P15428 3/20 0.35
CYP19A1 P11511 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL22048701 0.82 KMT2A (0.47) CSNK2A1MAPTALDH1A1KDM4EPOLB
SCHEMBL19980436 0.82 HTR2C (0.41) CSNK2A1MAPTALDH1A1KDM4EPOLB
SCHEMBL21156315 0.80 ALDH1A1 (0.35) CSNK2A1MAPTALDH1A1KDM4EPOLB
SCHEMBL20344535 0.80 CYP1A2 (0.44) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL19980376 0.79 CYP19A1 (0.43) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL19655565 0.78 ALDH1A1 (0.42) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL20344564 0.78 CYP19A1 (0.35) CSNK2A1MAPTALDH1A1KDM4EPOLB
SCHEMBL23085706 0.77 HPGD (0.43) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL14260588 0.76 CSNK2A1 (0.45) CSNK2A1MAPTALDH1A1KDM4EPOLB
SCHEMBL23337336 0.75 HPGD (0.33) MAPTALDH1A1KDM4EPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed