SCHEMBL3717485

SCHEMBL3717485

CC(=O)c1ccc2cc(Nc3ccc(OC(C)C)cc3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
GLA P06280 1/20 0.48
PARP10 Q53GL7 1/20 0.47
F2 P00734 2/20 0.47
PLG P00747 2/20 0.47
PLAU P00749 2/20 0.47
PLAT P00750 2/20 0.47
KLKB1 P03952 2/20 0.47
PRSS1 P07477 2/20 0.47
TP53 P04637 5/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MCL1 Q07820 1/20 0.47
MAPK1 P28482 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 3/20 0.45

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
SCHEMBL15763862 0.85 KMT2A (0.56) KMT2APARP10F2PLGPLAU
SCHEMBL3720759 0.81 MAPT (0.55) KMT2APARP10F2PLGPLAU
SCHEMBL13076454 0.79 ACACB (0.59)
SCHEMBL103890 0.78 KMT2A (0.70) KMT2AGLAPARP10TP53MAPT
SCHEMBL4105007 0.76 GLA (0.61) KMT2AGLAPARP10TP53MAPT
SCHEMBL2723103 0.76 GLA (0.57) KMT2AGLAPARP10TP53MAPT
SCHEMBL3717506 0.75 PLAU (0.51) KMT2APARP10F2PLGPLAU
SCHEMBL17631570 0.75 RAB9A (0.48) KMT2AGLATP53MAPTLMNA
SCHEMBL185920 0.74 ALDH1A1 (0.56) KMT2AMAPTLMNAALDH1A1KDM4E
SCHEMBL3720618 0.74 GLA (0.43) KMT2AGLAPARP10TP53MAPT

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed