SCHEMBL6537530

SCHEMBL6537530

Cc1ccc([N+](=O)[O-])c2nccc(Cl)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 6/20 0.55
TDP1 Q9NUW8 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 7/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
PKM P14618 2/20 0.43
HSP90AA1 P07900 2/20 0.43
OPRK1 P41145 2/20 0.43
PDE10A Q9Y233 1/20 0.41
ALOX12 P18054 2/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 2/20 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
SCHEMBL6537935 0.87 KMT2A (0.61) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL6538008 0.82 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL6537951 0.81 KMT2A (0.51) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL6537327 0.79 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL8112332 0.79 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL6537397 0.78 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL7693395 0.77 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL25248351 0.75 KDM4E (0.55) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL25247464 0.75 KMT2A (0.49) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1563574 0.73 MAPT (0.44) MEN1KMT2AALDH1A1TDP1SMN1; SMN2

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