SCHEMBL6537634

SCHEMBL6537634

Cc1cc([N+](=O)[O-])c2[nH]ccc(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
KDM4E B2RXH2 1/20 0.46
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.43
GPR35 Q9HC97 1/20 0.43
CCR8 P51685 1/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
P2RX7 Q99572 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36

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
SCHEMBL6537755 0.83 CHUK (0.48) TSHRCCR8KMT2AALDH1A1P2RX7
SCHEMBL6538005 0.81 CCR8 (0.43) KDM4ECCR8KMT2AALDH1A1SMN1; SMN2
SCHEMBL2720890 0.81 CCR8 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2768545 0.79 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6537690 0.78 ALDH1A1 (0.51) KDM4ETSHRCYP3A4CCR8KMT2A
SCHEMBL6537493 0.76 ALDH1A1 (0.58) KDM4ETSHRCYP3A4GPR35CCR8
SCHEMBL6537728 0.74 CYP1A2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2767546 0.73 KDM4E (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL259652 0.72 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6537685 0.71 KMT2A (0.41) KDM4ETSHRCYP3A4CCR8KMT2A

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
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed