SCHEMBL19633684

SCHEMBL19633684

CCOc1ccc2c(Nc3cccc([N+](=O)[O-])c3)ccnc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MITF O75030 1/20 0.64
LMNA P02545 1/20 0.64
MEN1 O00255 1/20 0.52
PTK6 Q13882 4/20 0.51
ERBB2 P04626 2/20 0.48
ABCG2 Q9UNQ0 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDGFRA P16234 1/20 0.46
KDR P35968 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
ROCK1 Q13464 1/20 0.45
EGFR P00533 1/20 0.44
ARNT P27540 1/20 0.44
EPAS1 Q99814 1/20 0.44
GAK O14976 1/20 0.44

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
SCHEMBL19633549 0.92 KMT2A (0.55) KMT2AMITFLMNAMEN1PTK6
SCHEMBL19633656 0.89 AKR1C3 (0.58) KMT2AMITFLMNAPTK6ERBB2
SCHEMBL19633569 0.89 KMT2A (0.52) KMT2AMITFLMNAMEN1PTK6
SCHEMBL19633574 0.87 CTSV (0.56) KMT2AMITFLMNAMEN1PTK6
SCHEMBL19633621 0.87 KMT2A (0.49) KMT2AMITFLMNAMEN1PTK6
SCHEMBL19633806 0.86 KMT2A (0.51) KMT2AMITFLMNAMEN1PTK6
SCHEMBL19633573 0.86 KMT2A (0.49) KMT2AMITFLMNAMEN1PTK6
SCHEMBL19633545 0.84 KMT2A (0.49) KMT2AMITFLMNAMEN1PTK6
SCHEMBL19633575 0.84 CTSV (0.49) KMT2AMITFLMNAMEN1PTK6
SCHEMBL19633777 0.84 GAK (0.57) KMT2AMITFLMNAPTK6ERBB2

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