SCHEMBL10436618

SCHEMBL10436618

CC(C)c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1ccnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
P2RY1 P47900 1/20 0.52
PDGFRA P16234 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HTT P42858 2/20 0.48
KDR P35968 2/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2C P28335 4/20 0.44
HTR2B P41595 4/20 0.44
KDM4E B2RXH2 1/20 0.44
KLK7 P49862 1/20 0.44

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 0.87 PDGFRA (0.52) PDGFRASMN1; SMN2NPC1RAB9AHTT
SCHEMBL10436621 0.86 PKM (0.54) P2RY1PDGFRASMN1; SMN2NPC1RAB9A
SCHEMBL10436623 0.85 NPC1 (0.51) PDGFRASMN1; SMN2NPC1RAB9AHTT
SCHEMBL10436793 0.85 PDGFRA (0.63) PDGFRASMN1; SMN2NPC1RAB9AKDR
SCHEMBL10436626 0.71 NPC1 (0.46) NPC1RAB9AHTTKDRKMT2A
SCHEMBL10436792 0.70 HTR2C (0.53) PDGFRASMN1; SMN2NPC1RAB9AKDR
SCHEMBL22154746 0.70 HTT (0.68) PDGFRASMN1; SMN2NPC1RAB9AHTT
SCHEMBL10436783 0.69 HTR2C (0.54) PDGFRANPC1RAB9AKDRMEN1
SCHEMBL10436769 0.69 HTR2C (0.56) P2RY1PDGFRASMN1; SMN2NPC1RAB9A
SCHEMBL3158806 0.68 P2RY1 (1.00) RECQLP2RY1

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