SCHEMBL6537906

SCHEMBL6537906

CC(C)OCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1-n1cccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
TYK2 P29597 9/20 0.38
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
JAK2 O60674 8/20 0.36
JAK1 P23458 7/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 1/20 0.34
PTGES O14684 2/20 0.34
F2RL1 P55085 1/20 0.34

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
SCHEMBL6538297 0.90 MEN1 (0.41) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL6538134 0.85 CYP3A4 (0.43) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL6537732 0.83 TYK2 (0.42) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL6537722 0.82 KMT2A (0.43) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL6537734 0.80 TYK2 (0.39) MEN1KMT2ATYK2TMEM97SIGMAR1
SCHEMBL6537916 0.79 TYK2 (0.38) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL6537921 0.79 PTGES (0.39) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL8589252 0.76 TYK2 (0.41) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL6537966 0.76 CYP3A4 (0.45) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL6537421 0.74 TYK2 (0.46) MEN1KMT2ACRHBPHTTCRHR2

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