SCHEMBL8570065

SCHEMBL8570065

CN(C)C(=O)Cc1cccc(-c2ccccc2-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 3/20 0.45
▸ TACR1 P25103 5/20 0.44
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ NR4A2 P43354 2/20 0.38
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL8567776 0.82 KMT2A (0.43) POLQTACR1KMT2AMEN1SMN1; SMN2
SCHEMBL8565707 0.82 POLQ (0.52) POLQTACR1KMT2AMEN1SMN1; SMN2
SCHEMBL8566845 0.81 CD274 (0.53) KMT2AMEN1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL8720333 0.80 KMT2A (0.51) POLQKMT2AMEN1SMN1; SMN2SLC6A2
SCHEMBL8572406 0.80 POLQ (0.53) POLQTACR1PTGDR2
SCHEMBL3424186 0.79 PTGS1 (0.49) KMT2APTGDR2PDCD1CD274
SCHEMBL2393653 0.77 TACR1 (0.47) POLQTACR1
SCHEMBL8570068 0.77 TACR1 (0.60) POLQTACR1KMT2APDCD1CD274
SCHEMBL12202180 0.73 POLQ (0.57) POLQKMT2ASMN1; SMN2
SCHEMBL21359666 0.72 PDCD1 (0.55) TACR1KMT2APDCD1CD274

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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