SCHEMBL1729220

SCHEMBL1729220

COc1cc2nc(-c3cccc(NCc4cccnc4)c3)nc(Nc3ccc4c(cnn4C(=O)O)c3)c2cc1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
USP2 O75604 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2C19 P33261 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ABCG2 Q9UNQ0 9/20 0.44
ABCB1 P08183 2/20 0.44
MAPT P10636 5/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 3/20 0.42
ERBB2 P04626 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL1729245 0.92 MEN1 (0.45) MEN1KMT2ALMNAUSP2CYP1A2
SCHEMBL4780062 0.92 EGFR (0.42) MEN1KMT2ALMNAUSP2CYP1A2
SCHEMBL4781518 0.91 ABCG2 (0.44) MEN1KMT2ALMNAUSP2CYP1A2
SCHEMBL1729984 0.90 ROCK2 (0.46) MEN1KMT2ALMNAUSP2CYP1A2
SCHEMBL1729223 0.89 ABCG2 (0.58) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL877821 0.86 ROCK2 (0.45) ABCG2ABCB1ERBB2EGFRERBB4
SCHEMBL1727988 0.85 CYP1A2 (0.47) MEN1KMT2ALMNAUSP2CYP1A2
SCHEMBL877621 0.85 ROCK2 (0.45) ABCG2ABCB1ERBB2EGFRROCK2
SCHEMBL877820 0.85 ROCK2 (0.54) MEN1KMT2AMAPK1CLK4ABCG2
SCHEMBL4779942 0.84 CLK4 (0.44) MEN1KMT2ALMNAUSP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406236-A1 RHO KINASE INHIBITORS Surface Logix, Inc. (US) 2012-01-18 EP disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 WO disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 WO disclosed