SCHEMBL8086955

SCHEMBL8086955

COc1nc2cc([N+](=O)[O-])cc(CNC(=O)CCC(N)=O)c2nc1OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 4/20 0.37
RXFP1 Q9HBX9 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 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
SCHEMBL8086966 0.91 ALDH1A1 (0.39) TRPV1ALDH1A1RXFP1SMN1; SMN2KMT2A
SCHEMBL8078916 0.88 TRPV1 (0.48) TRPV1ALDH1A1KMT2AMEN1MAPT
SCHEMBL8085722 0.86 ALDH1A1 (0.42) TRPV1ALDH1A1RXFP1SMN1; SMN2KMT2A
SCHEMBL8090408 0.85 KMT2A (0.41) ALDH1A1RXFP1SMN1; SMN2KMT2AMEN1
SCHEMBL8183409 0.83 TRPV1 (0.39) TRPV1ALDH1A1RXFP1SMN1; SMN2KMT2A
SCHEMBL5973535 0.77 POLB (0.41) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL8078887 0.77 POLB (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL8091960 0.77 ALOX5 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL8565866 0.76 CYP19A1 (0.33) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL8086968 0.76 CTSB (0.43) ALDH1A1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1137886-C 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives ��˹��ŵ�� 2004-02-11 CN disclosed
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
CN-1193968-A 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives NOVARTIS AG (CH) 1998-09-23 CN disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed