SCHEMBL8201080

SCHEMBL8201080

Brc1c(-c2ccc(C3=NCCN3)cc2)nc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 9/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MAOB P27338 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
MAOA P21397 1/20 0.41
HTR1D P28221 1/20 0.40
ADRA1A P35348 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
SCHEMBL8218711 0.84 NISCH (0.56) NISCHNPC1RAB9AMAOBALDH1A1
SCHEMBL8200571 0.81 NISCH (0.56) NISCHNPC1RAB9AKDM4EMAPT
SCHEMBL8197219 0.78 NISCH (0.59) NISCHNPC1RAB9AKDM4EMAOB
SCHEMBL8203694 0.78 AKT1 (0.43) NISCHMAPTMAOBALDH1A1CYP1A2
SCHEMBL8218755 0.78 NISCH (0.54) NISCHMAOBALDH1A1CYP1A2HPGD
SCHEMBL8873874 0.77 NPC1 (0.71) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL973109 0.77 NPC1 (0.64) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL8200488 0.76 NISCH (0.44) NISCHNPC1RAB9AKDM4EMAOB
SCHEMBL18221717 0.75 NPC1 (0.63) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL15825411 0.75 ALDH1A1 (0.62) NPC1RAB9AKDM4EMAPTALDH1A1

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-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed