SCHEMBL23367946

SCHEMBL23367946

CCc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.70
KCNK3 O14649 3/20 0.67
KCNK9 Q9NPC2 3/20 0.67
PTGS1 P23219 1/20 0.66
RXFP1 Q9HBX9 3/20 0.60
SLC1A3 P43003 1/20 0.60
SLC1A2 P43004 1/20 0.60
SLC1A1 P43005 1/20 0.60
ACKR3 P25106 1/20 0.58
PTGES O14684 2/20 0.57
PTPRC P08575 1/20 0.55
AURKA O14965 1/20 0.54
AURKB Q96GD4 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52

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
SCHEMBL3782432 0.88 KCNK3 (0.67) F2RKCNK3KCNK9PTGS1RXFP1
SCHEMBL12962945 0.86 F2R (0.62) F2RKCNK3KCNK9PTGS1RXFP1
SCHEMBL23367911 0.86 F2R (0.62) F2RKCNK3KCNK9PTGS1RXFP1
SCHEMBL12764065 0.82 KCNK3 (0.83) F2RKCNK3KCNK9PTGS1RXFP1
SCHEMBL24934209 0.82 F2R (0.67) F2RNPC1POLBRAB9AALDH1A1
SCHEMBL882775 0.82 F2R (1.00) F2RKCNK3KCNK9PTGS1RXFP1
SCHEMBL3769561 0.82 KCNK3 (0.59) F2RKCNK3KCNK9PTGS1RXFP1
SCHEMBL3778221 0.82 RAB9A (0.72) F2RKCNK3KCNK9PTGS1RXFP1
SCHEMBL2026524 0.81 RAB9A (0.50) F2RKCNK3KCNK9PTGS1RXFP1
SCHEMBL11212635 0.81 KCNK3 (0.80) F2RKCNK3KCNK9PTGS1RXFP1

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-3822253-A1 METHOD FOR PREPARING PROPANEDINITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2021-05-19 EP disclosed