SCHEMBL16956366

SCHEMBL16956366

C[C](CF)c1cc(C)cc(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.32
TPMT P51580 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
C1S P09871 1/20 0.30
PRSS3 P35030 1/20 0.30
GPR35 Q9HC97 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
SCHEMBL16953325 0.87 NOTUM (0.32) GPR35
SCHEMBL16952255 0.85 TPMT (0.42) TPMTALDH1A1PRSS1PRSS2C1S
SCHEMBL16960711 0.83 ALDH1A1 (0.33) KDRTPMTALDH1A1MAPK1PRSS1
SCHEMBL16952014 0.82 KDR (0.33) KDRTPMTALDH1A1MAPK1PRSS1
SCHEMBL16950603 0.82 KDR (0.33) KDRTPMTALDH1A1MAPK1PRSS1
SCHEMBL16957490 0.80 GPR139 (0.36) TPMTGPR35
SCHEMBL16950735 0.80 KDR (0.35) KDRTPMTALDH1A1MAPK1PRSS1
SCHEMBL16960686 0.80 ALDH1A1 (0.37) KDRTPMTALDH1A1MAPK1PRSS1
SCHEMBL16953597 0.78 SLC7A5 (0.36) TPMT
SCHEMBL16962179 0.78 MAPT (0.33)

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