SCHEMBL9564507

SCHEMBL9564507

CCOC(=O)c1cc(=O)c2cc([N+](=O)[O-])c(N3CCN(C)CC3)nc2n1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TTK P33981 4/20 0.35
SIRT6 Q8N6T7 1/20 0.35
HTR2C P28335 1/20 0.35
GPR174 Q9BXC1 1/20 0.35

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
SCHEMBL9564504 0.85 RXFP1 (0.42) RXFP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9564473 0.83 GPR174 (0.44) ALDH1A1KMT2AMAPTGPR174
SCHEMBL9564489 0.81 MEN1 (0.37) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9564450 0.81 MEN1 (0.40) ALDH1A1MEN1KMT2AMAPTSIRT6
SCHEMBL9564491 0.75 POLB (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9564488 0.72 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTHTR2C
SCHEMBL9564483 0.71 PIK3CA (0.37) ALDH1A1MEN1KMT2ATTK
SCHEMBL9564469 0.71 LGMN (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9564506 0.71 MAPT (0.38) RXFP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9564509 0.70 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTHTR2C

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
EP-0531958-A1 6-Aminoquinolones, their synthesis and their use as antibacterial agents MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-03-17 EP disclosed