SCHEMBL6537562

SCHEMBL6537562

CCCC#Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PLEC Q15149 1/20 0.40
PARP1 P09874 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TYK2 P29597 3/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL6538177 0.84 KDR (0.44) KDRMAPTTP53SMN1; SMN2HTT
SCHEMBL6537857 0.82 PARP1 (0.53) KDRMAPTTP53SMN1; SMN2HTT
SCHEMBL6537632 0.82 KDR (0.42) KDRMAPTTP53SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6537624 0.79 KDR (0.48) KDRMAPTTP53SMN1; SMN2HTT
SCHEMBL6537382 0.78 SLC40A1 (0.52) KDRMAPTTP53TMEM97SIGMAR1
SCHEMBL6537743 0.76 KDR (0.48) KDRMAPTTP53SMN1; SMN2HTT
SCHEMBL6537950 0.76 KDR (0.48) KDRMAPTTP53SMN1; SMN2HTT
SCHEMBL6537852 0.76 KDR (0.48) KDRMAPTTP53SMN1; SMN2HTT
SCHEMBL6537399 0.76 KDR (0.49) KDRMAPTTP53SMN1; SMN2HTT
SCHEMBL8591240 0.76 KDR (0.44) KDRMAPTTP53TMEM97SIGMAR1

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