SCHEMBL5320443

SCHEMBL5320443

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.41
CDK2 P24941 2/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
ELANE P08246 1/20 0.35
CTRB1 P17538 1/20 0.35
LMNA P02545 2/20 0.34
S1PR3 Q99500 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1B Q00975 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
SCHEMBL5320446 1.00 ENPP2 (0.41) ENPP2CDK2MEN1KMT2AMAPT
SCHEMBL5323812 0.91 PPARG (0.39) ENPP2CDK2MEN1KMT2AMAPT
SCHEMBL5323817 0.91 PPARG (0.39) ENPP2CDK2MEN1KMT2AMAPT
SCHEMBL5319875 0.91 LMNA (0.42) ENPP2CDK2MEN1KMT2AMAPT
SCHEMBL5319872 0.91 LMNA (0.42) ENPP2CDK2MEN1KMT2AMAPT
SCHEMBL5320079 0.90 ENPP2 (0.38) ENPP2CDK2MEN1KMT2AMAPT
SCHEMBL5320075 0.90 ENPP2 (0.38) ENPP2CDK2MEN1KMT2AMAPT
SCHEMBL5319158 0.90 ENPP2 (0.48) ENPP2LMNAGUCY1A1GUCY1B1NPSR1
SCHEMBL5319156 0.90 ENPP2 (0.48) ENPP2LMNAGUCY1A1GUCY1B1NPSR1
SCHEMBL5320310 0.89 ENPP2 (0.45) ENPP2CDK2MEN1KMT2AMAPT

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