SCHEMBL31703498

SCHEMBL31703498

O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.67
▸ BACE1 P56817 2/20 0.67
▸ MEN1 O00255 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ KDM4E B2RXH2 3/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ ADRB2 P07550 1/20 0.66
▸ PKM P14618 1/20 0.66
▸ LMNA P02545 4/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ USP2 O75604 2/20 0.59
▸ TSHR P16473 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ MAPT P10636 5/20 0.55
▸ TP53 P04637 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ HPGD P15428 1/20 0.50

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
SCHEMBL31703309 0.87 ALDH1A1 (0.74) MEN1KMT2AKDM4EALDH1A1ADRB2
SCHEMBL31703255 0.85 KDM4E (0.72) ACHEBACE1MEN1KMT2AKDM4E
SCHEMBL31703155 0.81 MAPT (0.77) MEN1KMT2AKDM4EALDH1A1ADRB2
SCHEMBL31703482 0.81 KDM4E (0.67) ACHEBACE1MEN1KMT2AKDM4E
SCHEMBL23495308 0.75 ALDH1A1 (0.81) MEN1KMT2AKDM4EALDH1A1ADRB2
SCHEMBL29436176 0.75 ALDH1A1 (0.81) MEN1KMT2AKDM4EALDH1A1ADRB2
SCHEMBL5579936 0.75 HTT (0.69) MEN1KMT2AKDM4EALDH1A1ADRB2
SCHEMBL29436214 0.74 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1ADRB2
SCHEMBL23495306 0.74 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1ADRB2
SCHEMBL23495113 0.74 KDM4E (0.60) MEN1KMT2AKDM4EALDH1A1ADRB2

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
WO-2025215121-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-10-16 — — WO disclosed
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