SCHEMBL19633797

SCHEMBL19633797

O=[N+]([O-])c1cccc(Oc2ccnc3cc(OCCCc4ccccc4)ccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.47
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 4/20 0.47
PDGFRA P16234 1/20 0.44
KDR P35968 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
LTA4H P09960 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11257936 0.82 CHRNB2 (0.59) CYP19A1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL19633545 0.81 KMT2A (0.49) CYP19A1CYP11B1CYP11B2CCNCCDK8
SCHEMBL19633577 0.80 KDR (0.50) CYP19A1PDGFRAKDR
SCHEMBL12003929 0.79 CTSV (0.50) CYP19A1CYP11B1CYP11B2PDGFRAKDR
SCHEMBL19633688 0.78 KDR (0.52) PDGFRAKDR
SCHEMBL19633823 0.78 PDGFRA (0.52) PDGFRAKDR
SCHEMBL7461659 0.78 KDR (0.48) PDGFRAKDRABCG2LMNAKMT2A
SCHEMBL3976278 0.77 CHRNB2 (0.57) CYP19A1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL19633628 0.77 PDGFRA (0.53) PDGFRAKDRMEN1LMNAKMT2A
SCHEMBL19633692 0.77 CCNC (0.50) CYP19A1CYP11B1CYP11B2CCNCCDK8

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-2017198196-A1 QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY 王子厚 2017-11-23 WO disclosed