SCHEMBL30452209

SCHEMBL30452209

CC(C)CCNC(=O)c1cccc(-c2ccc3nc(NC(=O)c4ccccc4)[nH]c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.55
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PKM P14618 2/20 0.51
MAOB P27338 1/20 0.51
ADORA2A P29274 1/20 0.51
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
HTT P42858 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SCD O00767 1/20 0.47

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
SCHEMBL29032795 1.00 ABL1 (0.55) ABL1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL29032771 0.93 ABL1 (0.53) ABL1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL30450655 0.93 ABL1 (0.53) ABL1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL30451563 0.91 ABL1 (0.51) ABL1NPC1RAB9ASMN1; SMN2MMP2
SCHEMBL29032717 0.91 ABL1 (0.51) ABL1NPC1RAB9ASMN1; SMN2MMP2
SCHEMBL29032706 0.91 P2RY14 (0.51) ABL1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL29032700 0.90 ABL1 (0.52) ABL1MMP2MMP9MMP8HTT
SCHEMBL29032732 0.86 NPC1 (0.49) ABL1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL29032780 0.84 HTT (0.53) ABL1NPC1RAB9ASMN1; SMN2MMP2
SCHEMBL30451514 0.84 ABL1 (0.56) ABL1NPC1RAB9ASMN1; SMN2PKM

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-116253686-B Aminobenzimidazole benzamide derivative and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-11-17 CN disclosed
CN-116253686-A Aminobenzimidazole benzamide derivative and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2023-06-13 CN disclosed