SCHEMBL31319668

SCHEMBL31319668

CCCCCCCn1ncc([N+](=O)[O-])c1C#N

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TXNRD1 Q16881 5/20 0.36
▸ GSR P00390 2/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL9284026 0.79 SMN1; SMN2 (0.40) MEN1KMT2AMAPTTXNRD1GSR
SCHEMBL10388225 0.77 L3MBTL1 (0.41) CNR1CNR2ACHESMN1; SMN2
SCHEMBL31319564 0.76 KDM4E (0.36) MEN1KMT2AMAPTHPGDHTT
SCHEMBL10773058 0.74 PKM (0.39) MAPTCNR1CNR2ACHESMN1; SMN2
SCHEMBL10772470 0.74 ALDH1A1 (0.39) MEN1KMT2AMAPTTXNRD1GSR
SCHEMBL5277153 0.74 SLC9A1 (0.38) MEN1KMT2AMAPTCNR1CNR2
SCHEMBL10775005 0.74 SMN1; SMN2 (0.48) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL10551830 0.73 L3MBTL1 (0.43) MEN1KMT2AMAPTCNR1CNR2
SCHEMBL10833702 0.71 — —
SCHEMBL10388255 0.71 SMN1; SMN2 (0.38) MEN1KMT2AMAPTCNR1CNR2

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-2025038863-A1 INDOLE AND PYRROLOYPYRIDINE DERIVATIVES AS GPR17 MODULATORS BIOGEN MA INC. (US) 2025-02-20 — — WO disclosed
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