SCHEMBL28489293

SCHEMBL28489293

Cc1ccc2nc(-c3cccc(N)c3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 1.00
RAB9A P51151 8/20 1.00
KDM4E B2RXH2 8/20 1.00
ALDH1A1 P00352 8/20 1.00
MAPT P10636 7/20 1.00
HPGD P15428 6/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
GFER P55789 4/20 1.00
TP53 P04637 3/20 1.00
PKM P14618 3/20 1.00
MEN1 O00255 7/20 0.70
KMT2A Q03164 7/20 0.70
GAA P10253 6/20 0.70
POLB P06746 4/20 0.70
USP2 O75604 2/20 0.70
BLM P54132 2/20 0.70
HTT P42858 2/20 0.69
HSD17B10 Q99714 3/20 0.68
PRMT1 Q99873 1/20 0.67
MMP2 P08253 1/20 0.62

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
SCHEMBL9767339 0.88 MEN1 (0.90) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL29377327 0.88 MEN1 (0.90) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL28548462 0.84 MEN1 (0.82) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL12172367 0.84 NPC1 (0.72) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL6322764 0.83 ALDH1A1 (0.76) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL12351220 0.83 MEN1 (1.00) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL276208 0.83 NPC1 (0.73) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL29899998 0.83 NPC1 (0.73) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL15443912 0.83 PRMT1 (0.82) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL17513608 0.82 MEN1 (0.70) NPC1RAB9AKDM4EALDH1A1MAPT

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
CN-111875545-A Directional synthesis method and application of 6-substituted benzimidazole derivative 安阳师范学院 2020-11-03 CN disclosed