SCHEMBL5319334

SCHEMBL5319334

COC(=O)/C=C/c1nn(Cc2ccc(Cl)cc2C)c2cc(N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.40
LMNA P02545 3/20 0.38
SLC22A12 Q96S37 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMO O15229 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
PMP22 Q01453 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 2/20 0.35
P2RX7 Q99572 1/20 0.34
JAK2 O60674 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL5319335 1.00 ENPP2 (0.40) ENPP2LMNASLC22A12ALDH1A1KMO
SCHEMBL5316765 0.91 LMNA (0.44) ENPP2LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL5316766 0.91 LMNA (0.44) ENPP2LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL5318383 0.90 ENPP2 (0.43) ENPP2LMNAPTGDR2PPARG
SCHEMBL5318381 0.90 ENPP2 (0.43) ENPP2LMNAPTGDR2PPARG
SCHEMBL5267893 0.89 ENPP2 (0.43) ENPP2SLC22A12KMOCYP1A2CYP3A4
SCHEMBL5318851 0.86 PTGS2 (0.39) ENPP2LMNASLC22A12ALDH1A1KMO
SCHEMBL5318848 0.86 PTGS2 (0.39) ENPP2LMNASLC22A12ALDH1A1KMO
SCHEMBL5320079 0.85 ENPP2 (0.38) ENPP2LMNAALDH1A1NPSR1TP53
SCHEMBL5320075 0.85 ENPP2 (0.38) ENPP2LMNAALDH1A1NPSR1TP53

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