SCHEMBL8570068

SCHEMBL8570068

Cc1cccc(CC(=O)N(C)c2ccccc2-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.60
▸ POLQ O75417 5/20 0.46
▸ GPBAR1 Q8TDU6 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ PDCD1 Q15116 3/20 0.37
▸ CD274 Q9NZQ7 3/20 0.37
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL8567778 0.84 TACR1 (0.54) TACR1POLQALDH1A1PDCD1CD274
SCHEMBL8566848 0.84 TACR1 (0.53) TACR1POLQALDH1A1PDCD1CD274
SCHEMBL8565708 0.84 TACR1 (0.60) TACR1POLQGPBAR1PDCD1CD274
SCHEMBL8572409 0.81 TACR1 (0.69) TACR1POLQGPBAR1
SCHEMBL8570065 0.77 POLQ (0.45) TACR1POLQPDCD1CD274KMT2A
SCHEMBL6871097 0.75 TACR1 (1.00) TACR1GPBAR1
SCHEMBL3424186 0.71 PTGS1 (0.49) PDCD1CD274KMT2A
SCHEMBL8720338 0.71 TACR1 (0.57) TACR1ALDH1A1KMT2A
SCHEMBL31443047 0.71 TRPM8 (0.46) POLQALDH1A1KMT2A
SCHEMBL24252550 0.70 HSD11B1 (0.40) TACR1ALDH1A1PDCD1CD274

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
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 — — US claimed
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