SCHEMBL6537546

SCHEMBL6537546

CN1CCN(c2ccnc3c(NC(=O)c4ccccc4[N+](=O)[O-])cccc23)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
CYP1A2 P05177 2/20 0.48
HPGD P15428 1/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
MITF O75030 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
PKM P14618 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 2/20 0.42
WDR5 P61964 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL6538243 0.81 KMT2A (0.43) KMT2AALDH1A1MEN1CYP1A2MAPT
SCHEMBL6538350 0.79 TYK2 (0.43) KMT2AALDH1A1MEN1HPGDMAPT
SCHEMBL6537671 0.78 SMN1; SMN2 (0.47) KMT2AALDH1A1MEN1CYP1A2HPGD
SCHEMBL6537662 0.77 MEN1 (0.61) KMT2AALDH1A1MEN1CYP1A2HPGD
SCHEMBL6537644 0.76 CYP1A2 (0.51) KMT2AALDH1A1MEN1CYP1A2HPGD
SCHEMBL6537479 0.74 ALDH1A1 (0.49) KMT2AALDH1A1MEN1CYP1A2HPGD
SCHEMBL6537396 0.74 TYK2 (0.41) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL30733199 0.74 MAPT (0.67) KMT2AMEN1CYP1A2MAPTSMN1; SMN2
SCHEMBL11995707 0.74 MAPT (0.67) KMT2AMEN1CYP1A2MAPTSMN1; SMN2
SCHEMBL6537828 0.74 ALDH1A1 (0.48) KMT2AALDH1A1MEN1CYP1A2HPGD

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