SCHEMBL7674100

SCHEMBL7674100

COc1nn(C)c(=O)n1Cc1ccc(Cc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 2/20 0.37
POLB P06746 1/20 0.37
CHRM5 P08912 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
P2RX7 Q99572 3/20 0.36
SLC22A12 Q96S37 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RX3 P56373 1/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7812471 0.78 RGS4 (0.45) RXFP1THRBMEN1KMT2AALDH1A1
SCHEMBL7672500 0.78 MAPT (0.45) THRBPOLBMEN1KMT2AALDH1A1
SCHEMBL7667866 0.77 MAPT (0.50) KMT2AALDH1A1
SCHEMBL7666955 0.73 FAAH (0.50) THRBMEN1KMT2AALDH1A1TP53
SCHEMBL7690530 0.72 AVPR2 (0.44) THRBPIK3CDMEN1KMT2AALDH1A1
SCHEMBL7666957 0.72 MAPT (0.42) CMA1THRBMEN1KMT2AALDH1A1
SCHEMBL7672546 0.72 MAPT (0.52) RXFP1POLBMEN1KMT2AALDH1A1
SCHEMBL7667797 0.72 MAPT (0.42) CMA1THRBPOLBMEN1KMT2A
SCHEMBL11828147 0.72 PNMT (0.60) POLBMEN1KMT2AALDH1A1
SCHEMBL7667892 0.70 POLB (0.38) THRBPOLBP2RX7MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489487-B1 AGRICULTURAL OR HORTICULTURAL FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-03 US disclosed
EP-1103548-A1 TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-05-30 EP disclosed