SCHEMBL8444471

SCHEMBL8444471

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.49
HIF1A Q16665 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ERN1 O75460 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL8440455 0.86 TNKS (0.50) TNKSHIF1ANR1H2NR1H3KDM4E
SCHEMBL8443281 0.82 ERN1 (0.49) TNKSHIF1AKDM4ENPC1RAB9A
SCHEMBL8442828 0.81 TNKS (0.46) TNKSHIF1AKDM4ENPC1RAB9A
SCHEMBL8803348 0.78 KMT2A (0.38) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL8803359 0.78 HTR2B (0.56)
SCHEMBL8443916 0.76 KMT2A (0.37) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL8442844 0.76 ALDH1A1 (0.43) TNKSKDM4EKMT2ACYP1A2CYP2D6
SCHEMBL8440981 0.76 CA12 (0.52) NR1H2NR1H3NPC1RAB9AMEN1
SCHEMBL12754449 0.76 GPR119 (0.53) TNKSHIF1AKDM4ENPC1RAB9A
SCHEMBL13986661 0.75 ALOX5 (0.52) TNKSHIF1ANPC1RAB9AGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US 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