SCHEMBL8985459

SCHEMBL8985459

CSc1ccc(-c2cc(Cl)sc2-c2ccc(NCC=O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 4/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RECQL P46063 1/20 0.37
PTGS2 P35354 4/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 3/20 0.33
CYP3A4 P08684 3/20 0.33
PTGS1 P23219 3/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GSK3B P49841 1/20 0.32
LMNA P02545 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL8985491 0.87 PTGS2 (0.43) CYP1A2CYP2C9CYP2C19RAB9AMEN1
SCHEMBL8985365 0.84 PTGS1 (0.35) CYP1A2CYP2C9CYP2C19RAB9AMEN1
SCHEMBL8985336 0.83 MAPK14 (0.45) RAB9AMEN1KMT2APTGS2MAPT
SCHEMBL8985319 0.83 PTGS2 (0.34) CYP1A2CYP2C9CYP2C19RAB9AMEN1
SCHEMBL8985521 0.82 PTGS1 (0.30) CYP1A2CYP2C9CYP2C19PTGS2CYP3A4
SCHEMBL8985448 0.82 OPRD1 (0.39) RAB9AMEN1KMT2APTGS2MAPT
SCHEMBL8985524 0.79 MAPK14 (0.51) MEN1KMT2APTGS2MAPTNPC1
SCHEMBL24035226 0.77 MEN1 (0.49) CYP1A2CYP2C9CYP2C19RAB9AMEN1
SCHEMBL8985463 0.76 PTGS1 (0.35) PTGS2NPC1PTGS1ALDH1A1L3MBTL1
SCHEMBL8985294 0.75 PTGS1 (0.40) CYP1A2CYP2C9CYP2C19RAB9AMEN1

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-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed