SCHEMBL6981522

SCHEMBL6981522

CC1CCOC(c2snc3ccc(-n4c(=O)cc(C(F)(F)F)n(C)c4=O)cc23)O1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCHR1 Q99705 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
SCHEMBL6974623 0.88
SCHEMBL6771708 0.85 NPC1 (0.30) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6984578 0.83 MCHR1 (0.32) MCHR1
SCHEMBL6977588 0.83
SCHEMBL6980485 0.80 PIM1 (0.32) MCHR1
SCHEMBL6983972 0.80
SCHEMBL7138248 0.78
SCHEMBL6771504 0.76
SCHEMBL6771154 0.76
SCHEMBL6767682 0.75

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-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed