SCHEMBL6537501

SCHEMBL6537501

N#Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(=O)NCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
JAK2 O60674 4/20 0.36
TYK2 P29597 4/20 0.36
JAK1 P23458 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
GHSR Q92847 2/20 0.35
TRPA1 O75762 1/20 0.34
CDK1 P06493 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.34
NCOR1 O75376 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
SCHEMBL6537538 0.87 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2JAK2TYK2
SCHEMBL6537980 0.86 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2JAK2TYK2
SCHEMBL6538156 0.85 POLB (0.51) SMN1; SMN2KMT2AHTTALDH1A1HPGD
Hydrochloric Acid SCHEMBL6537756 0.84 POLB (0.50) SMN1; SMN2KMT2AHTTALDH1A1HPGD
SCHEMBL6537790 0.83 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2JAK2TYK2
SCHEMBL6537515 0.82 LMNA (0.41) TAS1R3TAS1R1TAS1R2JAK2TYK2
SCHEMBL6537742 0.80 KDM4E (0.42) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL6538341 0.80 MEN1 (0.40) TAS1R3TAS1R1TAS1R2JAK2TYK2
SCHEMBL6537383 0.80 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2JAK2TYK2
SCHEMBL6537599 0.78 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2JAK2TYK2

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