SCHEMBL19906065

SCHEMBL19906065

CCc1c(C)cc2nc(-c3ccnc(-c4cnc(O)nc4)c3)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 2/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
USP7 Q93009 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.32
MAP4K4 O95819 1/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 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
SCHEMBL19906269 0.82 EIF4E (0.40) MAPTKDM4ELMNATRPM8MAP4K4
SCHEMBL19906236 0.81 PTGDR2 (0.38) KDM4EMAP4K4KMT2AALDH1A1MEN1
SCHEMBL19906103 0.79 MCHR1 (0.33) SREBF2MAPTKDM4ELMNAATM
SCHEMBL19905874 0.78 PTGDR2 (0.35) KDM4EKMT2AALDH1A1MEN1PTGDR2
SCHEMBL19906063 0.78 CYP3A4 (0.39) MAP4K4
SCHEMBL15341098 0.78 CYP3A4 (0.39) MAP4K4
SCHEMBL15340988 0.78 CYP3A4 (0.33) MAP4K4
SCHEMBL19905813 0.78 PTGDR2 (0.33) MAPTKDM4EKMT2AALDH1A1NPC1
SCHEMBL19906088 0.77 KDM4E (0.42) KDM4ELMNATRPM8KMT2AALDH1A1
SCHEMBL19905858 0.77 USP2 (0.38) KDM4ELMNAKMT2AALDH1A1GLA

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