SCHEMBL16951507

SCHEMBL16951507

C#Cc1cccc([C](C)CF)c1C#N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NPC1 O15118 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
SCHEMBL16953308 0.89 NOTUM (0.36) NOTUMALDH1A1TSHR
SCHEMBL16958222 0.88 NOTUM (0.34) NOTUMALDH1A1TSHRNPC1
SCHEMBL16952028 0.86 — —
SCHEMBL16959365 0.82 TSHR (0.32) NOTUMALDH1A1TSHR
SCHEMBL16957405 0.81 NOTUM (0.41) NOTUMALDH1A1
SCHEMBL16950991 0.80 ALDH1A1 (0.37) ALDH1A1TSHRNPC1
SCHEMBL16958590 0.80 NPC1 (0.33) NPC1
SCHEMBL16953937 0.80 NPC1 (0.33) NPC1
SCHEMBL16955270 0.79 CYP1A2 (0.41) NOTUMALDH1A1TSHR
SCHEMBL16957754 0.78 NPC1 (0.32) NPC1

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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