SCHEMBL8611245

SCHEMBL8611245

O=C(O)CNc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
PKM P14618 1/20 0.56
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
ALPG P10696 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
APP P05067 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7482776 0.88 ALDH1A1 (0.60) MAPTPKMALDH1A1LMNAL3MBTL1
SCHEMBL31737331 0.85 MAPT (0.60) MAPTPKMALDH1A1KDM4ELMNA
SCHEMBL9368499 0.83 NPSR1 (0.56) MAPTPKMALDH1A1LMNAL3MBTL1
SCHEMBL26841476 0.81 LMNA (0.61) MAPTPKMALDH1A1KDM4ELMNA
SCHEMBL6376377 0.81 POLB (0.63) MAPTPKMALDH1A1KDM4ELMNA
SCHEMBL6376371 0.81 POLB (0.63) MAPTPKMALDH1A1KDM4ELMNA
SCHEMBL1520169 0.80 MAPT (0.64) MAPTPKMALDH1A1LMNAL3MBTL1
SCHEMBL2016758 0.80 MAPT (0.63) MAPTPKMALDH1A1LMNAL3MBTL1
SCHEMBL26125825 0.80 ALDH1A1 (0.56) MAPTPKMALDH1A1KDM4ELMNA
SCHEMBL4305240 0.78 SMN1; SMN2 (0.58) MAPTALDH1A1LMNAMAPK1ALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
EP-0572852-B1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF AG (DE) 1998-10-21 EP disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed