SCHEMBL5320079

SCHEMBL5320079

COC(=O)C=Cc1nn(Cc2ccc(Cl)cc2C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
F2 P00734 2/20 0.37
PLAU P00749 2/20 0.37
ELANE P08246 2/20 0.37
CTRB1 P17538 2/20 0.37
LMNA P02545 6/20 0.36
MAPT P10636 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
NLRP1 Q9C000 1/20 0.36
CDK2 P24941 2/20 0.36
HTT P42858 1/20 0.35
FLT1 P17948 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
SCHEMBL5320075 1.00 ENPP2 (0.38) ENPP2F2PLAUELANECTRB1
SCHEMBL5319875 0.92 LMNA (0.42) ENPP2LMNAMAPTMEN1KMT2A
SCHEMBL5319872 0.92 LMNA (0.42) ENPP2LMNAMAPTMEN1KMT2A
SCHEMBL5320446 0.90 ENPP2 (0.41) ENPP2F2PLAUELANECTRB1
SCHEMBL5320443 0.90 ENPP2 (0.41) ENPP2F2PLAUELANECTRB1
SCHEMBL5319966 0.90 ENPP2 (0.41) ENPP2LMNAMAPTMEN1KMT2A
SCHEMBL5319964 0.90 ENPP2 (0.41) ENPP2LMNAMAPTMEN1KMT2A
SCHEMBL5319335 0.85 ENPP2 (0.40) ENPP2LMNAALDH1A1NPSR1HTT
SCHEMBL5319334 0.85 ENPP2 (0.40) ENPP2LMNAALDH1A1NPSR1HTT
SCHEMBL5319108 0.85 LMNA (0.46) ENPP2F2PLAUELANECTRB1

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