SCHEMBL9214655

SCHEMBL9214655

CCOC(=O)c1scc(-c2cc(CC)cs2)c1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PRKCZ Q05513 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.47
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK14 Q16539 1/20 0.43
TP53 P04637 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
PTPN1 P18031 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6050683 0.90 MAPT (0.51) MAPTKDM4ENPC1RAB9APRKCZ
SCHEMBL6050674 0.78 PRKCZ (0.54) MAPTKDM4ENPC1RAB9APRKCZ
SCHEMBL6050689 0.77 PTGS2 (0.58) MAPTKDM4ENPC1RAB9APRKCZ
SCHEMBL6050666 0.77 PTGS2 (0.58) MAPTKDM4ENPC1RAB9APRKCZ
SCHEMBL9214649 0.77 PRKCZ (0.53) MAPTKDM4ENPC1RAB9APRKCZ
SCHEMBL6050717 0.76 PRKCZ (0.55) MAPTKDM4ENPC1RAB9APRKCZ
SCHEMBL20015818 0.73 MAPT (0.59) MAPTKDM4ENPC1RAB9APRKCZ
SCHEMBL9203822 0.73 MAPT (0.46) MAPTKDM4ENPC1RAB9APRKCZ
SCHEMBL5237356 0.71 MAPT (0.56) MAPTKDM4ENPC1RAB9APRKCZ
SCHEMBL28228755 0.70 PRKCZ (0.61) MAPTKDM4ENPC1RAB9APRKCZ

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679157-A1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1995-11-02 EP disclosed
WO-1994015932-A1 NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1994-07-21 WO disclosed