SCHEMBL5318017

SCHEMBL5318017

O=C(O)/C=C/c1nn(Cc2ccc(F)cc2F)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
PPARG P37231 2/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
CDK2 P24941 1/20 0.36
SLC29A1 Q99808 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGDR Q13258 1/20 0.36
AKR1B1 P15121 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 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
SCHEMBL5318021 1.00 ENPP2 (0.40) ENPP2PPARGPTGDR2CDK2SLC29A1
SCHEMBL5320307 0.91 ENPP2 (0.45) ENPP2CDK2CYP1A2CYP3A4CYP2D6
SCHEMBL5317849 0.91 LMNA (0.46) ENPP2CDK2CYP1A2CYP3A4CYP2D6
SCHEMBL5317847 0.91 LMNA (0.46) ENPP2CDK2CYP1A2CYP3A4CYP2D6
SCHEMBL5320310 0.91 ENPP2 (0.45) ENPP2CDK2CYP1A2CYP3A4CYP2D6
SCHEMBL5323812 0.89 PPARG (0.39) ENPP2PPARGPTGDR2CDK2SLC29A1
SCHEMBL5323817 0.89 PPARG (0.39) ENPP2PPARGPTGDR2CDK2SLC29A1
SCHEMBL1049585 0.89 ENPP2 (0.46) ENPP2PTGDR2CYP1A2CYP3A4CYP2C8
SCHEMBL1049586 0.89 ENPP2 (0.46) ENPP2PTGDR2CYP1A2CYP3A4CYP2C8
SCHEMBL1050476 0.84 ENPP2 (0.52) ENPP2PTGDR2CYP1A2CYP3A4CYP2C8

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-1786424-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT The University of Kansas (US) 2007-05-23 EP claimed
WO-2006023704-A2 LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT UNIVERSITY OF KANSAS (US) 2006-03-02 WO claimed