SCHEMBL9545542

SCHEMBL9545542

O=c1c2ccccc2ncn1CCO[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.70
▸ RAB9A P51151 4/20 0.70
▸ NPC1 O15118 3/20 0.70
▸ HTT P42858 4/20 0.65
▸ MAPT P10636 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ POLB P06746 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ MAPK1 P28482 2/20 0.54

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
SCHEMBL30111084 0.77 KMT2A (0.66) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL30089495 0.75 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL19049515 0.75 LMNA (0.61) SMN1; SMN2RAB9AHTTMAPTLMNA
SCHEMBL875704 0.75 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL28866778 0.75 CYP2C9 (0.59) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL874574 0.75 CYP1A2 (0.59) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL30089425 0.75 CYP1A2 (0.59) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL10387888 0.75 HTT (0.74) SMN1; SMN2RAB9ANPC1HTTLMNA
SCHEMBL15228839 0.74 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AHTTMAPTLMNA
SCHEMBL10387534 0.74 LMNA (0.70) SMN1; SMN2RAB9ANPC1HTTMAPT

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-1993021163-A1 QUINAZOLONES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO S.P.A. (IT) 1993-10-28 — — WO disclosed
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