SCHEMBL5317847

SCHEMBL5317847

O=C(O)/C=C/c1nn(Cc2ccc(F)cc2Cl)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ENPP2 Q13822 2/20 0.43
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RORC P51449 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CDK2 P24941 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
SCHEMBL5317849 1.00 LMNA (0.46) LMNAENPP2MEN1KMT2ARORC
SCHEMBL5317439 0.91 CYP1A2 (0.46) LMNAENPP2MEN1KMT2AALDH1A1
SCHEMBL5318017 0.91 ENPP2 (0.40) LMNAENPP2MEN1KMT2AALDH1A1
SCHEMBL5317442 0.91 CYP1A2 (0.46) LMNAENPP2MEN1KMT2AALDH1A1
SCHEMBL5318021 0.91 ENPP2 (0.40) LMNAENPP2MEN1KMT2AALDH1A1
SCHEMBL5319111 0.89 LMNA (0.46) LMNAENPP2MEN1KMT2ARORC
SCHEMBL5319108 0.89 LMNA (0.46) LMNAENPP2MEN1KMT2ARORC
SCHEMBL1047502 0.89 ENPP2 (0.49) LMNAENPP2MEN1KMT2ARORC
SCHEMBL1047504 0.89 ENPP2 (0.49) LMNAENPP2MEN1KMT2ARORC
SCHEMBL5320310 0.87 ENPP2 (0.45) ENPP2MEN1KMT2AHTTSMN1; SMN2

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