SCHEMBL841392

SCHEMBL841392

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc3ccccc3c(NCCCNC(=O)OC(C)(C)C)c2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
GSR P00390 3/20 0.42
KMT2A Q03164 1/20 0.39
CHRM1 P11229 1/20 0.39
BRD4 O60885 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
SCHEMBL4199059 0.90 EGFR (0.54) EGFRBCHEACHEGSRKMT2A
SCHEMBL4199068 0.90 EGFR (0.54) EGFRBCHEACHEGSRKMT2A
SCHEMBL3953943 0.88 EGFR (0.49) EGFRBCHEACHEGSRKMT2A
SCHEMBL842362 0.87 GSR (0.42) BCHEACHEGSRKMT2ACHRM1
SCHEMBL3167025 0.83 EGFR (0.57) EGFRKMT2A
SCHEMBL6096675 0.80 BRD4 (0.41) KMT2ABRD4
SCHEMBL8125697 0.80 BCHE (0.47) BCHEACHEKMT2ABRD4
SCHEMBL6094679 0.79 BRD4 (0.40) KMT2ABRD4
SCHEMBL563646 0.79 KDM4E (0.39) KMT2ABRD4
SCHEMBL8137366 0.78 BCHE (0.47) BCHEACHEKMT2ABRD4

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-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed