SCHEMBL10436621

SCHEMBL10436621

CCc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
P2RY1 P47900 1/20 0.51
PDGFRA P16234 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KDR P35968 2/20 0.49
HTR2C P28335 3/20 0.48
HTR2B P41595 3/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
HRH3 Q9Y5N1 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
SCHEMBL10436622 0.88 PDGFRA (0.52) PDGFRASMN1; SMN2HTTNPC1RAB9A
SCHEMBL10436623 0.86 NPC1 (0.51) PDGFRASMN1; SMN2HTTNPC1RAB9A
SCHEMBL10436618 0.86 RECQL (0.54) P2RY1PDGFRASMN1; SMN2HTTNPC1
SCHEMBL10436793 0.86 PDGFRA (0.63) PDGFRASMN1; SMN2NPC1RAB9AKDR
SCHEMBL10436626 0.77 NPC1 (0.46) PKMHTTNPC1RAB9AKDR
SCHEMBL10436792 0.71 HTR2C (0.53) PDGFRASMN1; SMN2NPC1RAB9AKDR
SCHEMBL22154746 0.71 HTT (0.68) PDGFRASMN1; SMN2HTTNPC1RAB9A
SCHEMBL10436783 0.69 HTR2C (0.54) PDGFRANPC1RAB9AKDRHTR2C
SCHEMBL10436769 0.69 HTR2C (0.56) P2RY1PDGFRASMN1; SMN2HTTNPC1
SCHEMBL7373725 0.69 HTR2C (0.74) NPC1RAB9AKDRHTR2CHTR2B

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
EP-0354994-A2 Quinoline derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-02-21 EP disclosed