SCHEMBL29778208

SCHEMBL29778208

CC(C)(C)OC(=O)NCCOCCOCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.53
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAOB P27338 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ ACHE P22303 2/20 0.44
▸ BCHE P06276 2/20 0.43
▸ CNR2 P34972 2/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL18059295 1.00 ALOX5 (0.53) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL18041364 0.85 BCHE (0.51) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL29664574 0.85 BCHE (0.51) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL20819271 0.84 ALOX5 (0.52) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL20819279 0.84 ALOX5 (0.47) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3064038 0.84 ALDH1A1 (0.54) ALOX5MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL18041442 0.84 RAB9A (0.52) RAB9ASMN1; SMN2MAOBMAOAACHE
SCHEMBL18059296 0.82 IDO1 (0.47) SMN1; SMN2IDO1BCHECNR2LMNA
SCHEMBL29778177 0.82 IDO1 (0.47) SMN1; SMN2IDO1BCHECNR2LMNA
SCHEMBL1019102 0.81 MAPT (0.55) ALOX5MAPTRAB9ASMN1; SMN2NPC1

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
EP-4038053-A1 AMIDE-LINKED, AMINOBENZAZEPINE IMMUNOCONJUGATES, AND USES THEREOF Bolt Biotherapeutics, Inc. (US) 2022-08-10 — — EP disclosed
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