SCHEMBL28284669

SCHEMBL28284669

O=C1c2cccc3cccc(c23)C(=O)N1CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 1.00
▸ MAPT P10636 3/20 1.00
▸ RAB9A P51151 2/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ GAA P10253 1/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ NPSR1 Q6W5P4 1/20 0.71
▸ CA12 O43570 1/20 0.68
▸ CA1 P00915 1/20 0.68
▸ CA2 P00918 1/20 0.68
▸ CA9 Q16790 1/20 0.68
▸ CASP3 P42574 1/20 0.66
▸ CYP1B1 Q16678 2/20 0.65
▸ HEXA P06865 6/20 0.63
▸ HEXB P07686 6/20 0.63
▸ OGA O60502 1/20 0.61
▸ PDE10A Q9Y233 2/20 0.61
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ NPC1 O15118 1/20 0.59

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
SCHEMBL11834897 0.87 KDM4E (0.76) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL822573 0.86 ALDH1A1 (0.75) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL1142116 0.86 CASP3 (0.86) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL29724090 0.86 CASP3 (0.86) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL5594225 0.83 NPSR1 (1.00) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL18500086 0.82 KDM4E (0.69) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL11841247 0.82 KDM4E (0.68) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL11838114 0.81 KDM4E (0.67) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL9626265 0.80 HEXA (0.83) ALDH1A1MAPTRAB9AKDM4EGAA
SCHEMBL9720957 0.80 ALDH1A1 (0.67) ALDH1A1MAPTRAB9AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535767-B Preparation method of perylene pigment 江苏丽王科技股份有限公司 2023-08-04 — — CN claimed
CN-109535767-B Preparation method of perylene pigment 江苏丽王科技股份有限公司 2023-08-04 — — CN disclosed
CN-110317171-A 4- dithiocarbonic acid piperazine -1,8- naphthalimide derivative and its preparation method and application 桂林医学院 2019-10-11 — — CN disclosed
CN-110283163-A 4- tert-butoxycarbonyl-piperazine -3- nitro -1,8- naphthalimide derivative and its synthetic method and application 桂林医学院 2019-09-27 — — CN disclosed
CN-110283123-A 4- p-toluenesulfonyl piperazine -3- nitro -1,8- naphthalimide derivative and its synthetic method and application 桂林医学院 2019-09-27 — — CN disclosed
CN-110272388-A 4- dithiocarbonic acid piperazine -3- nitro -1,8- naphthalimide derivative and its synthetic method and application 桂林医学院 2019-09-24 — — CN disclosed
CN-110194741-A 4- benzoyl piperazine -3- nitro -1,8- naphthalimide derivative and its preparation method and application 桂林医学院 2019-09-03 — — CN disclosed
CN-109535767-A The preparation method of one germline pigment 江苏丽王科技股份有限公司 2019-03-29 — — CN disclosed
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