SCHEMBL5505124

SCHEMBL5505124

COc1cc(OC)nc(C(Cl)Cc2cccc(F)c2N)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CXCR2 P25025 1/20 0.31
TDO2 P48775 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL5501928 0.86 NPC1 (0.33) NPC1RAB9ACYP1A2
SCHEMBL5503160 0.86 HSP90AA1 (0.36) NPC1RAB9AALDH1A1
SCHEMBL5497135 0.85 NPC1 (0.35) NPC1RAB9ACYP1A2EDNRBEDNRA
SCHEMBL5502210 0.81 CHRM4 (0.32) ADORA1
SCHEMBL5499313 0.79 NPC1 (0.35) NPC1RAB9ACYP1A2EDNRBEDNRA
SCHEMBL2285840 0.77 NPC1 (0.34) NPC1RAB9ACYP1A2EDNRBEDNRA
SCHEMBL2283366 0.77 PDE2A (0.39) NPC1RAB9ACYP1A2EDNRBEDNRA
SCHEMBL2288861 0.76 NPC1 (0.35) NPC1RAB9ACYP1A2EDNRBEDNRA
SCHEMBL5497132 0.74 EDNRB (0.37) NPC1RAB9ACYP1A2EDNRBEDNRA
SCHEMBL5505122 0.74 EDNRB (0.34) NPC1RAB9ACYP1A2EDNRBEDNRA

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-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 WO disclosed