SCHEMBL6537746

SCHEMBL6537746

N#Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Cn1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 3/20 0.40
AR P10275 1/20 0.39
FNTA P49354 5/20 0.38
FNTB P49356 5/20 0.38
PGGT1B P53609 5/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL6537589 0.99 MEN1 (0.42) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6538113 0.86 SMN1; SMN2 (0.44) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537354 0.85 MEN1 (0.44) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537741 0.85 MEN1 (0.43) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537980 0.83 TAS1R3 (0.43) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537802 0.83 CYP3A4 (0.45) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537835 0.82 MEN1 (0.41) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537790 0.82 TAS1R3 (0.42) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537538 0.82 TAS1R3 (0.42) MEN1CRHBPHTTKMT2ACRHR2
SCHEMBL6537466 0.81 TBXAS1 (0.42) MEN1CRHBPHTTKMT2ACRHR2

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