SCHEMBL8440446

SCHEMBL8440446

COC(=O)c1cccc(-c2cscc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ERN1 O75460 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2A6 P11509 1/20 0.46
CNR1 P21554 1/20 0.46
AXL P30530 1/20 0.45
ASH1L Q9NR48 1/20 0.44
GABRG2 P18507 1/20 0.44

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
SCHEMBL8440061 0.84 CYP2A6 (0.64) CA12CA1CA2CA9NPC1
SCHEMBL8440447 0.82 RXRA (0.54)
SCHEMBL7844717 0.81 KAT6A (0.53) CA12CA1CA2CA9MAPT
SCHEMBL16749656 0.80 CA12 (0.58) CA12CA1CA2CA9NPC1
SCHEMBL8443917 0.79 KMT2A (0.52) CA12CA1CA2CA9MAPT
SCHEMBL28409132 0.78 ERN1 (0.50) CA12CA1CA2CA9MAPT
SCHEMBL67941 0.78 CA12 (0.68) CA12CA1CA2CA9RAB9A
SCHEMBL8440981 0.77 CA12 (0.52) CA12CA1CA2CA9MAPT
SCHEMBL8440901 0.77 CNR1 (0.48) CA12CA1CA2CA9MAPT
SCHEMBL8444332 0.77 CA12 (0.47) CA12CA1CA2CA9MAPT

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