SCHEMBL6536825

SCHEMBL6536825

CCCCOc1c(C)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
PLK1 P53350 1/20 0.40
TYK2 P29597 5/20 0.40
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
PTPN1 P18031 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
TSHR P16473 1/20 0.39
NR3C1 P04150 1/20 0.39
MAPK14 Q16539 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6538153 0.91 PTGES (0.41) MEN1KMT2APOLBTYK2JAK2
SCHEMBL6536777 0.90 GAA (0.43) MEN1KMT2APOLBTYK2JAK2
SCHEMBL6538032 0.88 THRB (0.47) MEN1KMT2ANPC1TYK2JAK2
SCHEMBL6537570 0.86 POLB (0.44) KMT2ANPC1TP53POLBTYK2
SCHEMBL6538019 0.84 ALDH1A1 (0.40) MEN1KMT2ANPC1TP53POLB
SCHEMBL6537792 0.84 GHSR (0.43) MEN1KMT2ANPC1TYK2JAK2
SCHEMBL6537706 0.83 TYK2 (0.41) MEN1KMT2ATP53POLBTYK2
SCHEMBL6538040 0.82 MAPK10 (0.44) MEN1KMT2ANPC1POLBNR1H2
SCHEMBL6537592 0.82 KMT2A (0.44) MEN1KMT2APOLBTYK2JAK2
SCHEMBL6538368 0.82 P2RY14 (0.41) TP53TYK2JAK2JAK1NR1H2

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