SCHEMBL8567778

SCHEMBL8567778

Cc1cccc(CC(=O)N(C)c2ccccc2-c2ccccc2)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.40
▸ POLQ O75417 1/20 0.40
▸ CD274 Q9NZQ7 2/20 0.39
▸ PDCD1 Q15116 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 3/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL8566848 0.87 TACR1 (0.53) TACR1ALDH1A1POLQCD274PDCD1
SCHEMBL8570068 0.84 TACR1 (0.60) TACR1ALDH1A1POLQCD274PDCD1
SCHEMBL8565708 0.80 TACR1 (0.60) TACR1POLQCD274PDCD1MAPT
SCHEMBL8572409 0.77 TACR1 (0.69) TACR1POLQ
SCHEMBL8567776 0.75 KMT2A (0.43) TACR1ALDH1A1POLQCD274PDCD1
SCHEMBL8720338 0.73 TACR1 (0.57) TACR1ALDH1A1KMT2ALTB4R2L3MBTL1
SCHEMBL31443047 0.73 TRPM8 (0.46) ALDH1A1POLQKMT2ALMNATRPM8
SCHEMBL8574194 0.72 TACR1 (0.43) TACR1KMT2AMEN1SMN1; SMN2
SCHEMBL868679 0.71 PTGS2 (0.54) KMT2ATDP1GRIN2BMAPTMEN1
SCHEMBL6871097 0.70 TACR1 (1.00) TACR1

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 disclosed
Send feedback