SCHEMBL6537491

SCHEMBL6537491

COCc1c[nH]c2c([N+](=O)[O-])cc(C)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
NQO2 P16083 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
GPR35 Q9HC97 1/20 0.36
DNA2 P51530 1/20 0.34
CASP6 P55212 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 3/20 0.33
TSHR P16473 2/20 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
SCHEMBL6537457 0.84 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6537611 0.81 DNA2 (0.55) NQO2MTNR1AMTNR1BKDM4EDNA2
SCHEMBL6537832 0.75 CASP6 (0.35) NQO2MTNR1AMTNR1BKDM4ECYP3A4
SCHEMBL2767546 0.72 KDM4E (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18579528 0.68 TSHR (0.56) KDM4ECYP3A4CYP1A2CYP2C19GPR35
SCHEMBL6537636 0.68 DNA2 (0.53) KDM4EDNA2CASP6CTDSP1LMNA
SCHEMBL6537634 0.68 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8472516 0.68 DNA2 (0.52) NQO2MTNR1AMTNR1BDNA2CASP6
SCHEMBL6537945 0.67 SMN1; SMN2 (0.40) KDM4ECYP3A4CYP1A2CYP2C19GPR35
SCHEMBL30848965 0.66 LMNA (0.38) NQO2MTNR1AMTNR1BKDM4ELMNA

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 2 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