SCHEMBL11862485

SCHEMBL11862485

COc1ccc2c(c1)c(-c1cccc3ccccc13)nc(=O)n2CC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CASR P41180 5/20 0.43
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR7 P34969 1/20 0.38

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
SCHEMBL11160051 0.85 CASR (0.59) MAPTTP53CASRPTGDR2NPSR1
SCHEMBL11864694 0.82 MAPT (0.44) MAPTTP53CASRMTNR1AMTNR1B
SCHEMBL11159700 0.79 USP2 (0.42) TP53CASRMEN1KMT2ALMNA
SCHEMBL11870272 0.79 ALDH1A1 (0.46) MAPTCASRMEN1KMT2APTGDR2
SCHEMBL11158937 0.79 CASR (0.57) MAPTTP53CASRPTGDR2NPSR1
SCHEMBL11164228 0.77 CASR (0.57) MAPTTP53CASRKMT2ANPSR1
SCHEMBL11468901 0.76 CASR (0.51) MAPTTP53CASRPTGDR2LMNA
SCHEMBL11869979 0.76 CASR (0.42) MAPTCASRPTGDR2POLBNPSR1
SCHEMBL11469861 0.75 CASR (0.55) MAPTTP53CASRPTGDR2NPSR1
SCHEMBL11467140 0.74 CASR (0.50) MAPTTP53CASRLMNA

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
US-3950526-A Quinazoline derivatives in pharmaceutical compositions for treating pain and inflammation SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-13 — — US disclosed
Send feedback