SCHEMBL6538153

SCHEMBL6538153

COCCOc1c(C)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.41
TYK2 P29597 6/20 0.41
JAK2 O60674 4/20 0.41
JAK1 P23458 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL6538032 0.91 THRB (0.47) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL6536825 0.91 MEN1 (0.42) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL6536777 0.89 GAA (0.43) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL6538019 0.85 ALDH1A1 (0.40) PTGESTYK2JAK2JAK1MEN1
SCHEMBL6537792 0.85 GHSR (0.43) PTGESTYK2JAK2JAK1MEN1
SCHEMBL6537570 0.85 POLB (0.44) TYK2JAK2JAK1KMT2APOLB
SCHEMBL6537706 0.84 TYK2 (0.41) PTGESTYK2JAK2JAK1MEN1
SCHEMBL6537921 0.83 PTGES (0.39) PTGESTYK2JAK2JAK1MEN1
SCHEMBL6538040 0.83 MAPK10 (0.44) MEN1KMT2APOLBALDH1A1TAS1R3
SCHEMBL6537592 0.83 KMT2A (0.44) TYK2JAK2JAK1MEN1KMT2A

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