SCHEMBL20636242

SCHEMBL20636242

CCOC(=O)c1c(-c2ccc3c(c2)N(C)CCO3)csc1N

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKCZ Q05513 12/20 0.69
▸ PRKCI P41743 2/20 0.69
▸ ALDH1A1 P00352 7/20 0.55
▸ HSD17B10 Q99714 4/20 0.55
▸ HPGD P15428 2/20 0.55
▸ MAPT P10636 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ ALOX15 P16050 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ MAPK1 P28482 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ GAA P10253 2/20 0.48
▸ MPI P34949 1/20 0.48
▸ KEAP1 Q14145 1/20 0.48
▸ RECQL P46063 1/20 0.45

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
SCHEMBL20635613 0.93 PRKCZ (0.68) PRKCZPRKCIALDH1A1HSD17B10HPGD
SCHEMBL20635749 0.86 PRKCZ (0.87) PRKCZPRKCIALDH1A1HSD17B10HPGD
SCHEMBL3386676 0.82 PRKCZ (1.00) PRKCZPRKCIALDH1A1HSD17B10HPGD
SCHEMBL13837694 0.82 PRKCZ (0.69) PRKCZPRKCIALDH1A1HSD17B10HPGD
SCHEMBL3384989 0.77 PRKCZ (0.74) PRKCZPRKCIALDH1A1HSD17B10HPGD
SCHEMBL690278 0.75 PRKCZ (0.84) PRKCZPRKCIALDH1A1HSD17B10HPGD
SCHEMBL8289654 0.75 PRKCZ (1.00) PRKCZPRKCIALDH1A1HSD17B10HPGD
SCHEMBL1554707 0.74 PRKCZ (0.75) PRKCZPRKCIALDH1A1HSD17B10HPGD
SCHEMBL8290826 0.74 PRKCZ (0.79) PRKCZPRKCIALDH1A1HSD17B10HPGD
SCHEMBL21253180 0.74 PRKCZ (0.66) PRKCZPRKCIALDH1A1HSD17B10HPGD

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
WO-2019008152-A1 3-CYANOTHIOPHENE DERIVATIVES AS INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2019-01-10 — — WO disclosed
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