SCHEMBL29032770

SCHEMBL29032770

O=C(NCc1ccccc1)c1cccc(-c2ccc3nc(NC(=O)c4cccc(Br)c4)[nH]c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ ABL1 P00519 3/20 0.54
▸ SENP1 Q9P0U3 3/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.53
▸ MTOR P42345 1/20 0.51
▸ JAK2 O60674 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ CHEK2 O96017 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ FES P07332 1/20 0.49
▸ RET P07949 1/20 0.49
▸ ROS1 P08922 1/20 0.49
▸ FER P16591 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ AXL P30530 1/20 0.49
▸ FLT4 P35916 1/20 0.49

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
SCHEMBL30451514 0.93 ABL1 (0.56) MEN1KMT2ANPC1RAB9AABL1
SCHEMBL29032783 0.93 ABL1 (0.56) MEN1KMT2ANPC1RAB9AABL1
SCHEMBL29032788 0.88 ABL1 (0.58) ABL1HDAC6JAK2MAP4K4CHEK2
SCHEMBL29032719 0.87 ABL1 (0.57) ABL1HDAC6JAK2MAP4K4CHEK2
SCHEMBL30451175 0.87 ABL1 (0.57) ABL1HDAC6JAK2MAP4K4CHEK2
SCHEMBL29032765 0.86 ABL1 (0.56) NPC1RAB9AABL1SENP1HDAC6
SCHEMBL29032722 0.85 ABL1 (0.54) ABL1HDAC6JAK2MAP4K4CHEK2
SCHEMBL30450800 0.85 ABL1 (0.54) ABL1HDAC6JAK2MAP4K4CHEK2
SCHEMBL29032695 0.84 ABL1 (0.54) NPC1RAB9AABL1SENP1HDAC6
SCHEMBL30450521 0.84 NPC1 (0.57) NPC1RAB9AABL1SENP1HDAC6

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
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