SCHEMBL6537844

SCHEMBL6537844

Cc1ccc2cccc(NC(=O)c3c(Cl)cccc3Cl)c2n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
GAA P10253 1/20 0.62
TP53 P04637 5/20 0.61
THRB P10828 2/20 0.60
ALDH1A1 P00352 2/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
POLB P06746 4/20 0.56
MEN1 O00255 1/20 0.55
ALOX12 P18054 1/20 0.55
KMT2A Q03164 1/20 0.55
KDR P35968 1/20 0.50
GLO1 Q04760 1/20 0.50

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
SCHEMBL17552189 0.86 MAPT (0.74) MAPTGAATP53THRBALDH1A1
SCHEMBL29911131 0.86 MAPT (0.74) MAPTGAATP53THRBALDH1A1
SCHEMBL29911020 0.83 MAPT (0.62) MAPTGAATP53THRBALDH1A1
SCHEMBL17552232 0.83 MAPT (0.62) MAPTGAATP53THRBALDH1A1
SCHEMBL17552242 0.82 GAA (0.67) MAPTGAATP53THRBALDH1A1
SCHEMBL29911215 0.82 GAA (0.67) MAPTGAATP53THRBALDH1A1
SCHEMBL29911281 0.82 ALDH1A1 (0.57) MAPTGAATP53THRBALDH1A1
SCHEMBL17552224 0.82 ALDH1A1 (0.57) MAPTGAATP53THRBALDH1A1
SCHEMBL17552233 0.81 MAPT (0.62) MAPTGAATP53THRBALDH1A1
SCHEMBL29911123 0.81 MAPT (0.62) MAPTGAATP53THRBALDH1A1

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