SCHEMBL30024032

SCHEMBL30024032

O=C(O)Cc1ccc(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.56
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ BACE1 P56817 1/20 0.51
▸ PKM P14618 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ MAOB P27338 2/20 0.49
▸ LMNA P02545 1/20 0.46
▸ AR P10275 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ FFAR1 O14842 2/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL5734032 1.00 CYP1A2 (0.56) CYP1A2MEN1KMT2ANPC1RAB9A
SCHEMBL5991804 0.91 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL2817506 0.90 CYP1A2 (0.51) CYP1A2MEN1KMT2ANPC1RAB9A
SCHEMBL5164310 0.90 BACE1 (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5991077 0.87 PKM (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL26604899 0.86 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL14572101 0.86 L3MBTL1 (0.53) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30954335 0.85 CYP4F2 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5734037 0.85 CYP4F2 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL8837186 0.84 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897376-A Heterocyclic compounds and process for preparing same 光明智慧生物科学公司 2024-04-16 — — CN disclosed
EP-4347561-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF Bright Minds Biosciences Inc. (CA) 2024-04-10 — — EP disclosed
WO-2022246554-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF BRIGHT MINDS BIOSCIENCES INC. (CA) 2022-12-01 — — WO disclosed
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