SCHEMBL6537694

SCHEMBL6537694

Cc1ccc2c(Cl)ccnc2c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 7/20 0.55
TDP1 Q9NUW8 4/20 0.55
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
ALOX12 P18054 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 3/20 0.41
HSP90AA1 P07900 1/20 0.40
OPRK1 P41145 1/20 0.40
GAA P10253 2/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL11973271 0.85 KMT2A (0.59) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL18434559 0.81 CCR1 (0.52) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL6599574 0.77 ALDH1A1 (0.51) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL7699235 0.77 ALDH1A1 (0.48) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL2260806 0.76 ALDH1A1 (0.50) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL30162663 0.76 ALDH1A1 (0.50) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL18083010 0.73 MEN1 (0.68) KMT2AALDH1A1MEN1TDP1SMN1; SMN2
SCHEMBL27190089 0.73 KMT2A (0.67) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL2972185 0.73 ALDH1A1 (0.44) KMT2AALDH1A1MEN1TDP1KDM4E
SCHEMBL31020500 0.73 ALDH1A1 (0.50) KMT2AALDH1A1MEN1TDP1KDM4E

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