SCHEMBL6537820

SCHEMBL6537820

Cc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1NN

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
PTGES O14684 11/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
PTGS1 P23219 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F2R P25116 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
GAA P10253 1/20 0.42
NR3C1 P04150 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL6538002 0.87 RXFP1 (0.45) RXFP1PTGESMAPTTP53SMN1; SMN2
SCHEMBL8488361 0.86 RXFP1 (0.47) RXFP1PTGESMAPTTP53PTGS1
SCHEMBL6538197 0.85 PTGES (0.43) RXFP1PTGESMAPTTP53F2R
SCHEMBL6537426 0.85 PTGES (0.50) RXFP1PTGESNR3C1
SCHEMBL8486940 0.82 PTGES (0.45) RXFP1PTGESMAPTTP53KCNK3
SCHEMBL6537770 0.79 TYK2 (0.43) MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL6537918 0.78 PTGES (0.42) RXFP1PTGESTP53NR3C1
SCHEMBL6538369 0.78 PTGES (0.44) RXFP1PTGESMAPTTP53SMN1; SMN2
SCHEMBL8486693 0.77 GSK3A (0.41) MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL8488768 0.77 DYRK3 (0.41) RXFP1PTGESMAPTSMN1; SMN2ALDH1A1

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