SCHEMBL30692552

SCHEMBL30692552

Fc1ccc2[nH]c(-c3ccccn3)nc2c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 12/20 0.78
▸ METAP2 P50579 9/20 0.78
▸ METAP1 P53582 7/20 0.78
▸ NPC1 O15118 5/20 0.67
▸ RAB9A P51151 5/20 0.67
▸ PKM P14618 4/20 0.67
▸ LMNA P02545 3/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ HPGD P15428 2/20 0.67
▸ MTOR P42345 1/20 0.67
▸ KDM4E B2RXH2 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ TP53 P04637 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ RUNX1 Q01196 1/20 0.53

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
SCHEMBL124265 1.00 CBFB (0.78) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL4812598 0.92 CBFB (0.67) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL13866553 0.84 NPC1 (0.74) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL4812027 0.84 METAP2 (0.55) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL124228 0.83 CBFB (1.00) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL13866537 0.82 NPC1 (0.81) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL8556415 0.82 METAP2 (0.78) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL124267 0.82 CBFB (0.78) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL12943863 0.82 METAP2 (0.67) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL30692549 0.82 CBFB (0.78) CBFBMETAP2METAP1NPC1RAB9A

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-117024451-A Preparation method and application of 2- (2-pyridyl) benzimidazole derivative curcumin copper complex 广西师范大学 2023-11-10 — — CN claimed
CN-117024451-A Preparation method and application of 2- (2-pyridyl) benzimidazole derivative curcumin copper complex 广西师范大学 2023-11-10 — — CN disclosed
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