SCHEMBL28971995

SCHEMBL28971995

BrCCCCCc1cccc2nc(-c3ccccn3)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 7/20 0.48
▸ METAP1 P53582 6/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ PKM P14618 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MTOR P42345 1/20 0.48
▸ CBFB Q13951 11/20 0.44
▸ GAA P10253 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40

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
SCHEMBL28972043 1.00 METAP2 (0.48) METAP2METAP1NPC1RAB9ALMNA
SCHEMBL28967166 1.00 METAP2 (0.48) METAP2METAP1NPC1RAB9ALMNA
SCHEMBL28971964 1.00 METAP2 (0.48) METAP2METAP1NPC1RAB9ALMNA
SCHEMBL28971994 1.00 METAP2 (0.48) METAP2METAP1NPC1RAB9ALMNA
SCHEMBL30239180 0.88 METAP2 (0.48) METAP2METAP1NPC1RAB9ALMNA
SCHEMBL28972007 0.76 METAP2 (0.51) METAP2METAP1NPC1RAB9ALMNA
SCHEMBL27837532 0.74 METAP2 (0.63) METAP2METAP1NPC1RAB9ALMNA
SCHEMBL2178199 0.71 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDGAA
SCHEMBL9705969 0.70 KDM4E (0.41) METAP1NPC1RAB9ALMNAPKM
SCHEMBL1896774 0.68 METAP2 (0.48) METAP2METAP1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819465-A Alkyl chain modified metal organic iridium complex and preparation method and application thereof 安徽科技学院 2023-03-21 — — CN disclosed
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