SCHEMBL6537786

SCHEMBL6537786

Nc1cc(Cl)cc2c(Cl)ccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.46
MMP14 P50281 2/20 0.45
SOS2 Q07890 1/20 0.42
G6PD P11413 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
CHUK O15111 1/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
HSP90AA1 P07900 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15B O15296 1/20 0.37
NR1I2 O75469 1/20 0.37

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
SCHEMBL6537871 0.81 NR4A2 (0.43) NR4A2MMP14SOS2G6PDPIM1
SCHEMBL6537590 0.81 NR4A2 (0.43) NR4A2MMP14SOS2G6PDPIM1
SCHEMBL2270856 0.78 HSP90AA1 (0.52) NR4A2MMP14G6PDPIM1PIM3
SCHEMBL6537370 0.78 SLC40A1 (0.44) NR4A2MMP14SOS2G6PDPIM1
SCHEMBL10009710 0.77 NR4A2 (0.59) NR4A2MMP14SOS2TP53TSHR
SCHEMBL2515670 0.74 NR4A2 (0.61) NR4A2MMP14G6PDTP53TSHR
SCHEMBL20160798 0.71 NR4A2 (0.50) NR4A2MMP14SOS2CHUKTP53
SCHEMBL6536891 0.70 KMT2A (0.65) PIM3CHUKTSHRALDH1A1TDP1
SCHEMBL30676367 0.69 NR4A2 (0.46) NR4A2MMP14SOS2TP53ALDH1A1
SCHEMBL29121987 0.69 NR4A2 (0.46) NR4A2MMP14SOS2TP53ALDH1A1

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