SCHEMBL9755422

SCHEMBL9755422

COc1cc2cc3cc(OC)c(OC)cc3nc2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.60
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PDGFRB P09619 13/20 0.52
PDGFRA P16234 13/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
SRC P12931 1/20 0.47
PGK1 P00558 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
SCHEMBL9755384 0.89 PDGFRB (0.50) NQO2ALDH1A1KDM4ESMN1; SMN2PDGFRB
SCHEMBL9755391 0.84 CYP1A1 (0.53) NQO2ALDH1A1KDM4ESMN1; SMN2PDGFRB
SCHEMBL14983509 0.82 PDGFRB (0.58) NQO2PDGFRBPDGFRA
SCHEMBL12068383 0.82 KDM4E (0.50) NQO2ALDH1A1KDM4ESMN1; SMN2PDGFRB
SCHEMBL27765191 0.80 ALDH1A1 (0.60) NQO2ALDH1A1KDM4ESMN1; SMN2PDGFRB
SCHEMBL2138144 0.80 ALDH1A1 (0.60) NQO2ALDH1A1KDM4ESMN1; SMN2PDGFRB
SCHEMBL12068382 0.78 NQO2 (0.44) NQO2PDGFRBPDGFRA
SCHEMBL8317211 0.78 NQO2 (0.48) NQO2ALDH1A1KDM4ESMN1; SMN2PDGFRB
SCHEMBL8318079 0.78 NQO2 (0.44) NQO2ALDH1A1KDM4ESMN1; SMN2PDGFRB
SCHEMBL3968488 0.77 ALDH1A1 (0.53) NQO2ALDH1A1KDM4ESMN1; SMN2PDGFRB

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
WO-1991005770-A1 POTENTIAL ANTICANCER AGENTS DERIVED FROM ACRIDINE SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-05-02 WO disclosed