SCHEMBL7375046

SCHEMBL7375046

Cc1nc(-c2ccc(Cl)c(Cl)c2)[nH]c1-c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.55
BRAF P15056 1/20 0.51
MAPK13 O15264 1/20 0.50
RAF1 P04049 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 1/20 0.48
KMT2A Q03164 1/20 0.46
CYP19A1 P11511 1/20 0.45
DHODH Q02127 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
STAT1 P42224 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL27674785 0.87 CYP11B1 (0.48) NPY5RBRAFCYP11B1CYP11B2CYP19A1
SCHEMBL7366319 0.85 NPY5R (0.64) NPY5RBRAFMAPK13RAF1MAPK12
SCHEMBL7367947 0.85 NPY5R (0.63) NPY5RBRAFMAPK13RAF1MAPK12
SCHEMBL7370060 0.82 ALDH1A1 (0.50) NPY5RBRAFKMT2ACYP19A1DHODH
SCHEMBL3127287 0.82 MAPK13 (0.59) BRAFMAPK13RAF1MAPK12MAPK11
SCHEMBL7369697 0.80 NPY5R (0.54) NPY5RBRAFMAPK13RAF1MAPK12
SCHEMBL7370040 0.80 TUBB4A (0.48) NPY5RBRAFCYP11B1CYP11B2CYP19A1
SCHEMBL7365631 0.80 CYP11B1 (0.53) NPY5RMAPK13MAPK12MAPK11MAPK14
SCHEMBL13115329 0.80 CYP11B1 (0.46) NPY5RBRAFCYP11B1CYP11B2KMT2A
SCHEMBL7366807 0.80 NPY5R (0.59) NPY5RCYP11B1CYP11B2KMT2AKDM4E

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
US-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed