SCHEMBL19906141

SCHEMBL19906141

CCOC(=O)Cc1c(C)cc2nc(-c3ccc4c(c3)CN(C)C4=O)sc2c1-c1ccc(Cl)cc1OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 5/20 0.37
KDM4E B2RXH2 7/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36

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
SCHEMBL19906142 0.92 PRF1 (0.37) PRF1KDM4EMEN1KMT2AALDH1A1
SCHEMBL15342429 0.80 PRF1 (0.37) PRF1KDM4EMEN1MAPTKMT2A
SCHEMBL19906140 0.80 KDM4E (0.36) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL15333311 0.76 CYP3A4 (0.39) PRF1
SCHEMBL15333444 0.76 CYP3A4 (0.39) PRF1
SCHEMBL19906171 0.76 KDM4E (0.36) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL15342057 0.76 PRF1 (0.39) PRF1
SCHEMBL19906197 0.75 PTGDR2 (0.36) KDM4EMEN1KMT2AALDH1A1TP53
SCHEMBL19906193 0.75 CASP3 (0.33) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL19906412 0.74 TP53 (0.38) KDM4EMEN1MAPTKMT2AALDH1A1

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-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed