SCHEMBL2360802

SCHEMBL2360802

Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.53
DGAT1 O75907 6/20 0.52
KCNH2 Q12809 5/20 0.52
SOAT1 P35610 2/20 0.48
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 2/20 0.47
HPGD P15428 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL4469809 0.88 KDM4E (0.64) NPBWR1DGAT1KCNH2SOAT1KDM4E
SCHEMBL6325961 0.86 NPBWR1 (0.59) NPBWR1DGAT1KCNH2SOAT1KDM4E
SCHEMBL30343717 0.86 NPBWR1 (0.59) NPBWR1DGAT1KCNH2SOAT1KDM4E
SCHEMBL15245140 0.84 DGAT1 (0.67) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL21705325 0.80 HDAC6 (0.64) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL10326035 0.80 NPBWR1 (0.58) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL31027889 0.80 HDAC6 (0.64) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL10325105 0.80 NPBWR1 (0.58) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL15245160 0.80 DGAT1 (0.79) NPBWR1DGAT1KCNH2SOAT1NPC1
SCHEMBL31289472 0.80 MEN1 (0.58) NPBWR1DGAT1KCNH2SOAT1KDM4E

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-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 WO disclosed