SCHEMBL360534

SCHEMBL360534

CCC(O)c1ccc2ncsc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HKDC1 Q2TB90 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FFAR1 O14842 1/20 0.44
NTRK1 P04629 1/20 0.44
NTRK2 Q16620 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DYRK1A Q13627 5/20 0.40
DYRK3 O43781 4/20 0.40
CLK1 P49759 4/20 0.40
CLK2 P49760 4/20 0.40
CLK3 P49761 4/20 0.40
DYRK2 Q92630 4/20 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
SCHEMBL18713740 0.83 TAS1R3 (0.45) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL19333368 0.82 NTRK1 (0.53) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL4713744 0.81 NPC1 (0.49) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL12600125 0.79 RAB9A (0.47) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL20511819 0.78 NTRK1 (0.42) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL277372 0.78 NPC1 (0.50) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL21025002 0.76 TAS1R3 (0.51) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL21164379 0.75 FFAR1 (0.54) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL24347730 0.75 NPC1 (0.45) TAS1R3TAS1R1NPC1RAB9AKDM4E
SCHEMBL21123817 0.75 NPC1 (0.45) TAS1R3TAS1R1NPC1RAB9AKDM4E

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-2012007510-A1 COMPOUNDS FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed