SCHEMBL19633573

SCHEMBL19633573

COc1ccc(COc2ccc3c(Nc4cccc([N+](=O)[O-])c4)ccnc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
MITF O75030 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
ABCG2 Q9UNQ0 2/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
GAK O14976 1/20 0.47
RIPK2 O43353 1/20 0.47
COQ8A Q8NI60 1/20 0.47
NLK Q9UBE8 1/20 0.47
PDGFRA P16234 1/20 0.47
KDR P35968 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
PTK6 Q13882 1/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL19633574 0.91 CTSV (0.56) KMT2ALMNAMITFABCG2CTSV
SCHEMBL19633575 0.91 CTSV (0.49) KMT2ALMNAMITFABCG2CTSV
SCHEMBL19633656 0.90 AKR1C3 (0.58) KMT2ALMNAMITFAKR1C3AKR1C2
SCHEMBL19633777 0.90 GAK (0.57) KMT2ALMNAMITFAKR1C3AKR1C2
SCHEMBL19633684 0.86 KMT2A (0.64) KMT2ALMNAMITFAKR1C3AKR1C2
SCHEMBL19633519 0.86 GAK (0.57) GAKRIPK2COQ8ANLKPTK6
SCHEMBL19633549 0.84 KMT2A (0.55) KMT2ALMNAMITFAKR1C3AKR1C2
SCHEMBL19633569 0.82 KMT2A (0.52) KMT2ALMNAMITFAKR1C3AKR1C2
SCHEMBL19633621 0.82 KMT2A (0.49) KMT2ALMNAMITFAKR1C3AKR1C2
SCHEMBL19633806 0.81 KMT2A (0.51) KMT2ALMNAMITFAKR1C3AKR1C2

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