SCHEMBL8443281

SCHEMBL8443281

COC(=O)c1cccc(-c2c(C=O)oc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.49
TNKS O95271 1/20 0.47
HIF1A Q16665 1/20 0.43
NEK1 Q96PY6 1/20 0.43
AXL P30530 1/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 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
SCHEMBL27359860 0.90 TNKS (0.49) ERN1TNKSKMT2ANPC1RAB9A
SCHEMBL8442828 0.84 TNKS (0.46) ERN1TNKSHIF1ANEK1AXL
SCHEMBL8440455 0.84 TNKS (0.50) ERN1TNKSHIF1ANEK1AXL
SCHEMBL8444471 0.82 TNKS (0.49) ERN1TNKSHIF1ANEK1AXL
SCHEMBL8441434 0.77 TTR (0.48) TNKSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL11563555 0.75 CA1 (0.49) TNKSKMT2ANPC1RAB9AMEN1
SCHEMBL8443258 0.74 AXL (0.49) ERN1TNKSHIF1ANEK1AXL
SCHEMBL12754449 0.74 GPR119 (0.53) TNKSHIF1ANEK1KMT2ANPC1
Phosphine SCHEMBL28097689 0.74 CA1 (0.47) TNKSKMT2ANPC1RAB9AMEN1
SCHEMBL8441956 0.73 ERN1 (0.49) ERN1NEK1AXLKMT2ARAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1070173-C Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 2001-08-29 CN disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
CN-1158606-A Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1997-09-03 CN disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed