SCHEMBL5319964

SCHEMBL5319964

Cc1cc(Cl)ccc1Cn1nc(/C=C/C(=O)O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.41
SLC22A12 Q96S37 4/20 0.38
CDK2 P24941 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KMO O15229 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
PTGES O14684 1/20 0.36
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
CNR1 P21554 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
SCHEMBL5319966 1.00 ENPP2 (0.41) ENPP2SLC22A12CDK2MEN1KMT2A
SCHEMBL5317442 0.91 CYP1A2 (0.46) ENPP2SLC22A12CDK2MEN1KMT2A
SCHEMBL5317439 0.91 CYP1A2 (0.46) ENPP2SLC22A12CDK2MEN1KMT2A
SCHEMBL5320075 0.90 ENPP2 (0.38) ENPP2CDK2MEN1KMT2ANPSR1
SCHEMBL5320079 0.90 ENPP2 (0.38) ENPP2CDK2MEN1KMT2ANPSR1
SCHEMBL5320307 0.89 ENPP2 (0.45) ENPP2SLC22A12CDK2MEN1KMT2A
SCHEMBL5320310 0.89 ENPP2 (0.45) ENPP2SLC22A12CDK2MEN1KMT2A
SCHEMBL12787880 0.86 ENPP2 (0.45) ENPP2SLC22A12KMONPSR1CYP1A2
SCHEMBL5267893 0.85 ENPP2 (0.43) ENPP2SLC22A12KMONPSR1CYP1A2
SCHEMBL5324065 0.84 ENPP2 (0.42) ENPP2SLC22A12KMONPSR1CYP1A2

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