SCHEMBL4295696

SCHEMBL4295696

Nc1ccc(-c2nc3c(Cl)ncnc3[nH]2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
TP53 P04637 2/20 0.39
CACNA1B Q00975 2/20 0.39
APBA1 Q02410 2/20 0.39
GLA P06280 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL783583 0.75 PARP1 (0.47) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL783584 0.73 PARP1 (0.53) KDM4EALDH1A1GAAGFERPARP1
SCHEMBL4295694 0.72 PARP1 (0.36) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL783767 0.72 PI4KA (0.50) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL30440652 0.71 RHEB (0.48) KDM4EALDH1A1GAACHEK2PARP1
SCHEMBL29403371 0.67 KIF11 (0.50) MEN1ALDH1A1KMT2AHSD17B10GAA
SCHEMBL349356 0.67 KIF11 (0.50) MEN1ALDH1A1KMT2AHSD17B10GAA
SCHEMBL17290110 0.67 TBK1 (0.47) HTTPARP1
SCHEMBL15756742 0.67 KDM4E (0.54) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL4846517 0.67 GAA (0.39) KDM4EMEN1ALDH1A1HPGDKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009079000-A1 IMIDAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO disclosed