SCHEMBL6537586

SCHEMBL6537586

Cc1cnc2c(NC(=O)c3ccccc3[N+](=O)[O-])cccc2c1Cl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
KCNMA1 Q12791 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6537335 0.85 MEN1 (0.53) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6537358 0.84 KDM4E (0.50) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6537662 0.82 MEN1 (0.61) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6537426 0.80 PTGES (0.50)
SCHEMBL6538176 0.80 KDM4E (0.48) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6537483 0.78 ALDH1A1 (0.59) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6537674 0.78 TYK2 (0.46) KMT2AMEN1CYP3A4ALDH1A1LMNA
SCHEMBL1963164 0.77 KMT2A (0.65) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6537644 0.77 CYP1A2 (0.51) KDM4EKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6537479 0.76 ALDH1A1 (0.49) KDM4EKMT2AMEN1CYP1A2CYP3A4

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