SCHEMBL8985365

SCHEMBL8985365

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
GSK3B P49841 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.33
UBE2N P61088 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGS2 P35354 2/20 0.33
ALDH1A1 P00352 6/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
SLC6A4 P31645 1/20 0.31
RECQL P46063 1/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8985514 0.85 PTGS2 (0.42) PTGS1L3MBTL1NPC1UBE2NTDP1
SCHEMBL8985459 0.84 CYP1A2 (0.37) PTGS1GSK3BL3MBTL1NPC1UBE2N
SCHEMBL8985226 0.81 MAPK14 (0.47) PTGS1L3MBTL1NPC1UBE2NTDP1
SCHEMBL8985463 0.79 PTGS1 (0.35) PTGS1L3MBTL1NPC1UBE2NTDP1
SCHEMBL8985294 0.78 PTGS1 (0.40) PTGS1L3MBTL1NPC1UBE2NTDP1
SCHEMBL8985532 0.76 MAPK14 (0.53) PTGS1L3MBTL1NPC1UBE2NTDP1
SCHEMBL8985333 0.75 GSK3B (0.42) PTGS1GSK3BNPC1PTGS2ALDH1A1
SCHEMBL222551 0.75 ALDH1A1 (0.52) NPC1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8985491 0.70 PTGS2 (0.43) PTGS1L3MBTL1NPC1UBE2NTDP1
SCHEMBL8985319 0.69 PTGS2 (0.34) PTGS1NPC1PTGS2ALDH1A1CYP1A2

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 3 patents. 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
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed