SCHEMBL1726552

SCHEMBL1726552

COC(=O)C(=O)Nc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)O)c3)c3ccccc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 1/20 0.53
PDE5A O76074 3/20 0.52
KDM1A O60341 2/20 0.51
TP53 P04637 1/20 0.50
ABCB1 P08183 4/20 0.49
ABCC1 P33527 2/20 0.48
TGFBR1 P36897 1/20 0.47
RORC P51449 1/20 0.47
MAPK14 Q16539 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL876808 0.91 EGFR (0.51) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL877390 0.84 MEN1 (0.50) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL4784466 0.84 ABCG2 (0.50) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL4782453 0.84 ABCG2 (0.53) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL878154 0.84 MEN1 (0.60) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL877856 0.83 ROCK2 (0.68) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL876855 0.81 ROCK2 (0.70) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL877685 0.80 JAK3 (0.53) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL877614 0.80 ABCG2 (0.68) ABCG2MEN1KMT2AMAPTPDE5A
SCHEMBL877613 0.80 ABCG2 (0.68) ABCG2MEN1KMT2AMAPTPDE5A

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
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