SCHEMBL9079289

SCHEMBL9079289

CCOC(=O)c1nnc2c(Cl)nc3cc([N+](=O)[O-])ccc3n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ MAPT P10636 7/20 0.44
▸ PDE2A O00408 1/20 0.44
▸ ELANE P08246 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MITF O75030 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ F2 P00734 2/20 0.41
▸ PLAU P00749 2/20 0.41
▸ CTRB1 P17538 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GABRA2 P47869 1/20 0.41

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
SCHEMBL21642546 0.80 BRD4 (0.43) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL15534813 0.78 KMT2A (0.60) KMT2AMEN1MAPTELANEALDH1A1
SCHEMBL9082101 0.78 CHEK1 (0.47) MAPTELANEALDH1A1SMN1; SMN2MITF
SCHEMBL13405553 0.74 MAPT (0.49) KMT2AMEN1MAPTELANEALDH1A1
SCHEMBL2422853 0.71 MAPT (0.53) KMT2AMEN1MAPTELANEALDH1A1
SCHEMBL30881347 0.70 ALDH1A1 (0.48) KMT2AMEN1MAPTELANEALDH1A1
SCHEMBL20569346 0.70 ALDH1A1 (0.48) KMT2AMEN1MAPTELANEALDH1A1
SCHEMBL15908736 0.68 MAPT (0.55) MAPTELANEALDH1A1LMNASMN1; SMN2
SCHEMBL7806825 0.67 KMT2A (0.54) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4493009 0.67 SMN1; SMN2 (0.47) MAPTELANEALDH1A1LMNANPSR1

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
US-5559106-A Heterocyclic compounds, their use and preparation NOVO NORDISK A/S (DK) 1996-09-24 — — US disclosed
EP-0691969-A1 [1,2,4] TRIAZOLO [4,3-a] QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-01-17 — — EP disclosed
WO-1994021639-A1 [1,2,4] TRIAZOLO [4,3-a] QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-09-29 — — WO disclosed
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