SCHEMBL10436626

SCHEMBL10436626

O=C(NCc1ccc(F)cc1F)Nc1ccc(Cl)c(-c2ccnc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
CHEK1 O14757 3/20 0.42
KDR P35968 1/20 0.42
EPHX2 P34913 1/20 0.42
KMT2A Q03164 2/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
P2RX7 Q99572 1/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 3/20 0.41
ANO1 Q5XXA6 1/20 0.41
RORC P51449 1/20 0.41
PKM P14618 1/20 0.40
NAMPT P43490 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
SCHEMBL10436769 0.79 HTR2C (0.56) NPC1GLAMAPTHTTKDR
SCHEMBL10436621 0.77 PKM (0.54) NPC1MAPTHTTKDRKMT2A
SCHEMBL10436636 0.75 HTR2C (0.49) NPC1MAPTKDRKMT2AHTR2C
SCHEMBL10436783 0.74 HTR2C (0.54) NPC1KDRKMT2AHTR2CHTR2B
SCHEMBL10436792 0.73 HTR2C (0.53) NPC1MAPTKDRKMT2AHTR2C
SCHEMBL10436623 0.73 NPC1 (0.51) NPC1MAPTHTTKDRKMT2A
SCHEMBL10436622 0.73 PDGFRA (0.52) NPC1MAPTHTTKDRHTR2C
SCHEMBL10436618 0.71 RECQL (0.54) NPC1HTTKDRKMT2AHTR2C
SCHEMBL10436793 0.71 PDGFRA (0.63) NPC1MAPTKDRKMT2AHTR2C
SCHEMBL10436634 0.69 HTR2C (0.62) MAPTKDRKMT2AHTR2CHTR2B

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