SCHEMBL10436623

SCHEMBL10436623

O=C(Nc1ccc(Br)c(-c2ccnc3ccccc23)c1)Nc1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PDGFRA P16234 3/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
KDR P35968 3/20 0.48
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.46
KLK7 P49862 1/20 0.46
MAPT P10636 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46

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) NPC1RAB9AHTTSMN1; SMN2PDGFRA
SCHEMBL10436621 0.86 PKM (0.54) NPC1RAB9AHTTSMN1; SMN2PDGFRA
SCHEMBL10436618 0.85 RECQL (0.54) NPC1RAB9AHTTSMN1; SMN2PDGFRA
SCHEMBL10436793 0.85 PDGFRA (0.63) NPC1RAB9ASMN1; SMN2PDGFRAHTR2A
SCHEMBL10436626 0.73 NPC1 (0.46) NPC1RAB9AHTTHTR2CKDR
SCHEMBL10436792 0.72 HTR2C (0.53) NPC1RAB9ASMN1; SMN2PDGFRAHTR2A
SCHEMBL22154746 0.72 HTT (0.68) NPC1RAB9AHTTSMN1; SMN2PDGFRA
SCHEMBL10436783 0.71 HTR2C (0.54) NPC1RAB9APDGFRAHTR2CKDR
SCHEMBL10436769 0.71 HTR2C (0.56) NPC1RAB9AHTTSMN1; SMN2PDGFRA
SCHEMBL17609477 0.70 RAB9A (1.00) NPC1RAB9AHTTSMN1; SMN2GAA

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