SCHEMBL6537753

SCHEMBL6537753

Cc1cc(NC=C(C(=O)O)C(=O)O)c([N+](=O)[O-])cc1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
LMNA P02545 1/20 0.46
ALDH1A1 P00352 4/20 0.46
RECQL P46063 1/20 0.45
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCAR3 P49019 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL8473074 1.00 MAPT (0.49) MAPTLMNAALDH1A1RECQLHTT
SCHEMBL6538195 0.82 MAPT (0.70) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL6538193 0.82 MAPT (0.70) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL8472886 0.82 ALDH1A1 (0.58) MAPTLMNAALDH1A1HTTKMT2A
SCHEMBL6537524 0.82 ALDH1A1 (0.58) MAPTLMNAALDH1A1HTTKMT2A
SCHEMBL7710267 0.77 ALDH1A1 (0.49) MAPTLMNAALDH1A1RECQLHTT
SCHEMBL6537432 0.77 MAPT (0.50) MAPTALDH1A1TSHR
SCHEMBL6537862 0.77 APP (0.54) MAPTLMNAALDH1A1HTTKMT2A
SCHEMBL6537866 0.77 APP (0.54) MAPTLMNAALDH1A1HTTKMT2A
SCHEMBL8524918 0.77 MAPT (0.50) MAPTALDH1A1TSHR

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