SCHEMBL30451563

SCHEMBL30451563

CC(=O)Nc1nc2ccc(-c3cccc(C(=O)NCCC(C)C)c3)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.51
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL29032717 1.00 ABL1 (0.51) ABL1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL29032795 0.91 ABL1 (0.55) ABL1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL30452209 0.91 ABL1 (0.55) ABL1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL29032721 0.91 NPC1 (0.52) ABL1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL30450725 0.91 NPC1 (0.52) ABL1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL29032700 0.90 ABL1 (0.52) ABL1HTTMMP2MMP9MMP8
SCHEMBL30450655 0.88 ABL1 (0.53) ABL1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL29032771 0.88 ABL1 (0.53) ABL1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL29032732 0.87 NPC1 (0.49) ABL1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL29032706 0.86 P2RY14 (0.51) ABL1HTTNPC1RAB9ASMN1; SMN2

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 4 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 claimed
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 claimed
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