SCHEMBL8611539

SCHEMBL8611539

CC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.64
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
GALR2 O43603 1/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
CCR6 P51684 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PDE7A Q13946 1/20 0.49
CXCR2 P25025 1/20 0.49
HTT P42858 3/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 3/20 0.46
VCAM1 P19320 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
SCHEMBL6354726 0.92 SLC9A1 (0.59) SLC9A1MAPTNPSR1ALDH1A1LMNA
SCHEMBL10759973 0.92 SLC9A1 (0.63) SLC9A1MAPTNPSR1ALDH1A1LMNA
SCHEMBL29386167 0.92 SLC9A1 (0.63) SLC9A1MAPTNPSR1ALDH1A1LMNA
SCHEMBL27941949 0.89 SLC9A1 (0.60) SLC9A1MAPTNPSR1ALDH1A1LMNA
SCHEMBL2972082 0.89 SLC9A1 (0.60) SLC9A1MAPTNPSR1ALDH1A1LMNA
SCHEMBL6816581 0.89 CXCR2 (0.63) SLC9A1MAPTNPSR1ALDH1A1LMNA
SCHEMBL27796244 0.88 SLC9A1 (0.56) SLC9A1MAPTNPSR1ALDH1A1LMNA
SCHEMBL30296307 0.87 SLC9A1 (0.55) SLC9A1MAPTNPSR1ALDH1A1LMNA
SCHEMBL6200886 0.87 SLC9A1 (0.62) SLC9A1MAPTNPSR1ALDH1A1LMNA
SCHEMBL8513944 0.86 MAPT (0.55) SLC9A1MAPTNPSR1ALDH1A1LMNA

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