SCHEMBL19633628

SCHEMBL19633628

CCCCOc1ccc2c(Oc3ccc([N+](=O)[O-])cc3)ccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 2/20 0.53
KDR P35968 2/20 0.53
MAPT P10636 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
TBXA2R P21731 1/20 0.42
MET P08581 1/20 0.42
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12003956 0.88 PDGFRA (0.53) PDGFRAKDRMAPTHTTPOLB
SCHEMBL15537365 0.85 KDR (0.63) PDGFRAKDRMET
SCHEMBL12003971 0.83 KDR (0.53) PDGFRAKDRMAPTHTTPOLB
SCHEMBL12003969 0.83 KDR (0.53) PDGFRAKDRMAPTHTTPOLB
SCHEMBL12004518 0.83 KDR (0.53) PDGFRAKDRMET
SCHEMBL12003929 0.82 CTSV (0.50) PDGFRAKDRMAPTNPC1RAB9A
SCHEMBL29453859 0.81 PDGFRA (0.54) PDGFRAKDRMAPTRAB9AHTT
SCHEMBL7461377 0.81 PDGFRA (0.54) PDGFRAKDRMAPTHTTMAPK1
SCHEMBL22749989 0.81 PDGFRA (0.54) PDGFRAKDRMAPTRAB9AHTT
SCHEMBL12004509 0.81 PDGFRA (0.57) PDGFRAKDRMAPTRAB9AHTT

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