SCHEMBL6067705

SCHEMBL6067705

O=C1NC(=O)c2c1c1ccccc1ssc1ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.44
CCND1 P24385 5/20 0.44
CDK5 Q00535 3/20 0.44
CDK5R1 Q15078 3/20 0.44
GSK3B P49841 3/20 0.44
GSK3A P49840 2/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PRKD3 O94806 1/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
PRKCA P17252 1/20 0.44
PRKACA P17612 1/20 0.44
CCNA2 P20248 1/20 0.44
PRKACG P22612 1/20 0.44

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
SCHEMBL5387156 0.79 CDK4 (0.49) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL549156 0.79 CDK4 (0.57) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL11903054 0.72 CDK4 (0.55) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL29436003 0.72 GPR3 (0.43) MAPTALDH1A1KDM4ECASP3DDAH1
SCHEMBL110286 0.72 GPR3 (0.43) MAPTALDH1A1KDM4ECASP3DDAH1
SCHEMBL6995596 0.70 MAPT (0.49) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL7902933 0.68 CDK5 (0.47) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL3672266 0.68 CDK4 (0.47) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL5766206 0.67 CDK4 (0.42) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL5334328 0.64 CDK4 (0.44) CDK4CCND1CDK5CDK5R1GSK3B

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
WO-2006068627-A1 USE OF CONDENSATION PRODUCTS OF FATTY ACIDS, ALCOHOLS, PHENOLS, ALKYL PHENOLS AND AMINES WITH ETHYLENE OXIDE AND/OR PROPYLENE OXIDE AS AN ESSENTIAL OR SOLE COMPONENT OF AN ADDITIVE VUCHT, A.S. (SK) 2006-06-29 WO claimed