SCHEMBL4504902

SCHEMBL4504902

CCc1c(C(=O)O)c(C=O)n(Cc2ccccc2)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.57
CFTR P13569 1/20 0.43
LMNA P02545 1/20 0.43
CYP19A1 P11511 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PLA2G2A P14555 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TBXA2R P21731 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4477472 0.89 PGR (0.48) ARCFTRLMNACYP19A1KMT2A
SCHEMBL4494579 0.88 ALDH1A1 (0.43) ARLMNAKMT2AMEN1POLB
SCHEMBL4490040 0.83 GFER (0.47) PLA2G2AKDM4EMAPTHTTALDH1A1
SCHEMBL4485664 0.82 KDM4E (0.40) LMNAKMT2AMEN1POLBKDM4E
SCHEMBL4491745 0.82 AR (0.43) ARPOLBKDM4EMAPTALDH1A1
SCHEMBL4492336 0.82 AR (0.47) ARLMNAKMT2AMEN1POLB
SCHEMBL4559832 0.78 TP53 (0.46) LMNAKMT2AMEN1MAPTHTT
SCHEMBL4490747 0.78 PGR (0.43) LMNAKMT2AMEN1PLA2G2AKDM4E
SCHEMBL4488093 0.77 VDR (0.40) LMNAKMT2AMEN1POLBMAPT
SCHEMBL4504869 0.77 ALDH1A1 (0.42) LMNAKMT2AMEN1POLBMAPT

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-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed