SCHEMBL8303447

SCHEMBL8303447

O=C1CCCC(O)=C1C(=O)c1ccc(-c2ccncc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.39
CDK9 P50750 1/20 0.39
CHUK O15111 1/20 0.39
PKN2 Q16513 2/20 0.39
PKN1 Q16512 1/20 0.39
MKNK2 Q9HBH9 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
QDPR P09417 1/20 0.36
HSD17B1 P14061 1/20 0.35
FTO Q9C0B1 1/20 0.35
P2RX7 Q99572 1/20 0.35
CAPN1 P07384 2/20 0.35
GPR142 Q7Z601 2/20 0.35
PLK4 O00444 1/20 0.35
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
ROCK2 O75116 1/20 0.35
RPS6KA5 O75582 1/20 0.35
PRKD3 O94806 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
SCHEMBL6866312 0.73 MAPT (0.44) MAPT
SCHEMBL8304801 0.72 SMN1; SMN2 (0.34) PKN2PKN1POLBL3MBTL1
SCHEMBL3104322 0.72 XDH (0.57) CDC7CHUKMKNK2MKNK1QDPR
SCHEMBL10965370 0.70 MKNK2 (0.48) CDC7CDK9CHUKMKNK2MKNK1
SCHEMBL15133263 0.67 MAP2K1 (0.33) PRKCIPOLBMAPTTHRBL3MBTL1
SCHEMBL10192413 0.67 HPGD (0.47) P2RX7MAPK13MAPK12POLB
SCHEMBL22946327 0.67 SMN1; SMN2 (0.37) PRKCIPOLBMAPTTHRBL3MBTL1
SCHEMBL12052310 0.66 SMN1; SMN2 (0.44) POLBMAPT
SCHEMBL8889487 0.66 ALDH1A1 (0.53) POLBMAPTL3MBTL1
SCHEMBL10421633 0.65 MAPT (0.45) P2RX7POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922032-A1 HERBICIDAL PYRIDINYL AND PYRAZOLYLPHENYL KETONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-16 EP claimed
WO-1997046530-A1 HERBICIDAL PYRIDINYL AND PYRAZOLYLPHENYL KETONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-11 WO claimed
EP-0922032-A1 HERBICIDAL PYRIDINYL AND PYRAZOLYLPHENYL KETONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-16 EP disclosed
WO-1997046530-A1 HERBICIDAL PYRIDINYL AND PYRAZOLYLPHENYL KETONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-11 WO disclosed