SCHEMBL6537871

SCHEMBL6537871

Cc1cc(N)c2nccc(Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.43
G6PD P11413 1/20 0.43
MMP14 P50281 2/20 0.42
SLC40A1 Q9NP59 2/20 0.40
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HSP90AA1 P07900 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
ALOX15B O15296 1/20 0.39
NR1I2 O75469 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ALOX5 P09917 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 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
SCHEMBL318411 0.81 SLC40A1 (0.44) NR4A2MMP14SLC40A1KDM4EMEN1
SCHEMBL6537786 0.81 NR4A2 (0.46) NR4A2G6PDMMP14KDM4EMEN1
SCHEMBL6537590 0.79 NR4A2 (0.43) NR4A2G6PDMMP14KDM4EMEN1
SCHEMBL10008628 0.79 NR4A2 (0.56) NR4A2G6PDMMP14SLC40A1KDM4E
SCHEMBL31392519 0.79 KDM4E (0.39) NR4A2MMP14SLC40A1KDM4EMEN1
SCHEMBL2270856 0.78 HSP90AA1 (0.52) NR4A2G6PDMMP14KDM4EMEN1
SCHEMBL6537370 0.75 SLC40A1 (0.44) NR4A2G6PDMMP14SLC40A1KDM4E
SCHEMBL31392546 0.73 KDM4E (0.38) MMP14SLC40A1KDM4EMEN1KMT2A
SCHEMBL6537736 0.72 MEN1 (0.61) KDM4EMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL2515670 0.72 NR4A2 (0.61) NR4A2G6PDMMP14KDM4EMEN1

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