SCHEMBL28778090

SCHEMBL28778090

COc1ccnc2c(NC(=O)c3ccccc3)cccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 1/20 0.59
▸ KDR P35968 1/20 0.58
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ HTT P42858 1/20 0.54
▸ TOP2A P11388 1/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NPC1 O15118 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KDM4E B2RXH2 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
SCHEMBL22556190 0.87 SLC40A1 (0.61) SLC40A1KMT2AMEN1MAPTHPGD
SCHEMBL21149821 0.84 SLC40A1 (0.57) SLC40A1KMT2AMEN1MAPTHPGD
SCHEMBL6537597 0.82 HSD17B10 (0.55) SLC40A1KDRKMT2AMEN1MAPT
SCHEMBL28778106 0.80 KDR (0.62) KDRKMT2AMEN1MAPTHPGD
SCHEMBL28778056 0.80 KDR (0.62) KDRKMT2AMEN1MAPTHPGD
SCHEMBL28944349 0.80 KDR (0.62) KDRKMT2AMEN1MAPTHTT
SCHEMBL29831045 0.77 KMT2A (0.69) KMT2AMEN1MAPTHPGDHSD17B10
SCHEMBL17552240 0.77 KMT2A (0.69) KMT2AMEN1MAPTHPGDHSD17B10
SCHEMBL28778116 0.76 POLB (0.57) KDRKMT2AMEN1MAPTLMNA
SCHEMBL21121187 0.76 HTT (0.68) SLC40A1KMT2AMEN1MAPTHPGD

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-114437028-B Method for generating N-substituted phthalimide compound by nickel-catalyzed carbonylation reaction 桂林理工大学 2023-11-17 — — CN disclosed
CN-114437028-A Method for generating N-substituted phthalimide compound through nickel-catalyzed carbonylation reaction 桂林理工大学 2022-05-06 — — CN disclosed
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