SCHEMBL11137902

SCHEMBL11137902

COc1ccc(C)cc1NC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.61
▸ POLB P06746 1/20 0.61
▸ MEN1 O00255 4/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ TP53 P04637 2/20 0.58
▸ TSHR P16473 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ PPARG P37231 1/20 0.55
▸ PPARA Q07869 1/20 0.55
▸ RECQL P46063 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL11145102 0.87 POLB (0.65) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL11143571 0.85 ALOX15 (0.64) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL11141287 0.84 NPSR1 (0.56) KMT2APOLBMEN1ALDH1A1TSHR
SCHEMBL11140628 0.81 MEN1 (0.57) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL6468205 0.81 KMT2A (0.52) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL10889203 0.81 HTT (0.59) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL13607121 0.80 NPSR1 (0.74) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL6468211 0.79 SMN1; SMN2 (0.57) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL29140899 0.79 NPC1 (0.63) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL4935364 0.78 NPSR1 (0.77) KMT2AMEN1ALDH1A1MAPTTP53

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-4387106-A ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1983-06-07 — — US disclosed
Send feedback