SCHEMBL16952000

SCHEMBL16952000

C[C](CF)c1cccc(I)c1C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL16952462 0.84 CES2 (0.32) KMT2A
SCHEMBL16957594 0.82 — —
SCHEMBL16952565 0.81 — —
SCHEMBL16960985 0.81 — —
SCHEMBL16952460 0.79 KIT (0.34) —
SCHEMBL16956268 0.79 ESR1 (0.45) KMT2ASMN1; SMN2
SCHEMBL16952726 0.79 TRPA1 (0.43) TSHRKMT2APTGS2SMN1; SMN2TDP1
SCHEMBL16962068 0.79 MEN1 (0.31) TSHRKMT2ATDP1
SCHEMBL16958186 0.78 KMT2A (0.33) KMT2APOLBSMN1; SMN2
SCHEMBL16952623 0.77 DYRK1A (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
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