SCHEMBL6537632

SCHEMBL6537632

CC(C)(O)C#Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PLEC Q15149 1/20 0.40
PARP1 P09874 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ABL1 P00519 2/20 0.40
BCR P11274 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.38

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 0.85 KDR (0.44) KDRMAPTTP53HTTSMN1; SMN2
SCHEMBL6537857 0.83 PARP1 (0.53) KDRMAPTTP53HTTSMN1; SMN2
SCHEMBL6537562 0.82 KDR (0.42) KDRMAPTTP53HTTSMN1; SMN2
SCHEMBL6537883 0.81 KDR (0.46) KDRMAPTTP53HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL6537624 0.80 KDR (0.48) KDRMAPTTP53HTTSMN1; SMN2
SCHEMBL6537382 0.79 SLC40A1 (0.52) KDRMAPTTP53HTTSMN1; SMN2
SCHEMBL6537399 0.77 KDR (0.49) KDRMAPTTP53HTTSMN1; SMN2
SCHEMBL6537743 0.77 KDR (0.48) KDRMAPTTP53HTTSMN1; SMN2
SCHEMBL6537536 0.76 KDR (0.52) KDRMAPTTP53HTTSMN1; SMN2
SCHEMBL6537713 0.76 JAK2 (0.52) KDRMAPTTP53HTTSMN1; SMN2

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