SCHEMBL30166992

SCHEMBL30166992

Clc1nc2c(Br)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PSMB8 P28062 2/20 0.40
NOS1 P29475 2/20 0.37
BACE1 P56817 1/20 0.37
AXL P30530 1/20 0.37
MGAM O43451 3/20 0.37
GAA P10253 3/20 0.37
SI P14410 3/20 0.37
MGAM2 Q2M2H8 3/20 0.37
NUDT1 P36639 1/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
AHR P35869 1/20 0.35
PDPK1 O15530 1/20 0.35
GRM2 Q14416 2/20 0.35
ALDH1A1 P00352 1/20 0.34
ADORA1 P30542 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL66295 0.79 PSMB8 (0.59) NPC1RAB9APSMB8NOS1MGAM
SCHEMBL29755094 0.79 NOS1 (0.39) PSMB8NOS1BACE1AXLGAA
SCHEMBL248854 0.79 NOS1 (0.39) PSMB8NOS1BACE1AXLGAA
SCHEMBL20479833 0.77 GAA (0.44) PSMB8NOS1BACE1AXLMGAM
SCHEMBL9305381 0.76 NOS1 (0.37) PSMB8NOS1BACE1AXLMGAM
SCHEMBL1701339 0.76 PARP1 (0.53) NOS1BACE1AXLMGAMGAA
SCHEMBL17276019 0.76 NUDT1 (0.51) BACE1NUDT1ALDH1A1
SCHEMBL6118216 0.76 GAA (0.54) NPC1RAB9APSMB8MGAMGAA
SCHEMBL3109602 0.76 MGAM (0.60) NPC1RAB9AMGAMGAASI
SCHEMBL9305483 0.76 RAB9A (0.50) NPC1RAB9APSMB8MGAMGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115768761-B Novel benzimidazole derivatives 卡尔那生物科学株式会社 2025-02-25 CN disclosed
CN-115768761-A Novel benzimidazole derivatives 卡尔那生物科学株式会社 2023-03-07 CN disclosed