SCHEMBL5501924

SCHEMBL5501924

COc1nc(OC)nc(C(CCl)c2cccc(F)c2N)n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CYP1A2 P05177 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 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
SCHEMBL5505122 0.86 EDNRB (0.34) NPC1RAB9ACYP1A2
SCHEMBL5498822 0.86 NPC1 (0.30) NPC1RAB9ACYP1A2
SCHEMBL5506437 0.85 ITGB1 (0.34) CYP1A2ITGB1ITGA4
SCHEMBL2292231 0.82 NPC1 (0.33) NPC1RAB9ACYP1A2
SCHEMBL5502204 0.82 MEN1 (0.31)
SCHEMBL2283874 0.81 NPC1 (0.33) NPC1RAB9ACYP1A2
SCHEMBL2290422 0.81 NPC1 (0.33) NPC1RAB9ACYP1A2
SCHEMBL3741461 0.80 NPC1 (0.35) NPC1RAB9ACYP1A2ITGB1ITGA4
SCHEMBL2287644 0.77 NPC1 (0.32) NPC1RAB9ACYP1A2
SCHEMBL5505254 0.74 ITGB1 (0.35) CYP1A2ITGB1ITGA4

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