SCHEMBL6537669

SCHEMBL6537669

COc1ccc([N+](=O)[O-])c2[nH]ccc(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
CASP6 P55212 1/20 0.37
FBP1 P09467 1/20 0.37
CHEK1 O14757 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36

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
SCHEMBL6537685 0.81 KMT2A (0.41) LMNATDP1ALDH1A1L3MBTL1CASP6
SCHEMBL10158695 0.81 CCR8 (0.47) LMNATDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL27174864 0.80 ALDH1A1 (0.46) LMNATDP1ALDH1A1L3MBTL1FBP1
SCHEMBL6537811 0.77 TDP1 (0.44) LMNATDP1ALDH1A1CASP6FBP1
SCHEMBL930320 0.77 ALDH1A1 (0.46) LMNATDP1ALDH1A1L3MBTL1FBP1
SCHEMBL3575595 0.75 MAPT (0.43) ALDH1A1L3MBTL1KDM4EMAPTALOX15
SCHEMBL27174969 0.73 ALDH1A1 (0.40) LMNATDP1ALDH1A1L3MBTL1FBP1
SCHEMBL7293514 0.73 NQO2 (0.46) ALDH1A1L3MBTL1KDM4EMAPTALOX15
SCHEMBL7293483 0.73 ALDH1A1 (0.37) ALDH1A1L3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL6537728 0.72 CYP1A2 (0.42) LMNATDP1ALDH1A1L3MBTL1KDM4E

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