SCHEMBL8440654

SCHEMBL8440654

O=C(O)c1cccc(-c2ccsc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
KMO O15229 2/20 0.51
CYP2A6 P11509 1/20 0.49
TBXA2R P21731 1/20 0.48
PTGER1 P34995 1/20 0.48
DDT P30046 1/20 0.46
RORB Q92753 1/20 0.45
FOLH1 Q04609 3/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KEAP1 Q14145 1/20 0.44
MAP4K4 O95819 1/20 0.43

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
SCHEMBL8444332 0.82 CA12 (0.47) CYP2A6
SCHEMBL7830647 0.81 KMO (0.51) RXRARXRBKMOTBXA2RPTGER1
SCHEMBL2950828 0.80 RXRA (0.47) RXRARXRBCYP2A6HDAC1HDAC6
SCHEMBL38650969 0.77 CTSA (0.46) CYP2A6RORB
SCHEMBL16749639 0.77 KMO (0.69) RXRARXRBKMODDTFOLH1
SCHEMBL29386545 0.77 KMO (0.69) RXRARXRBKMODDTFOLH1
SCHEMBL8443771 0.75 KMO (0.49) RXRARXRBKMOPTGER1DDT
SCHEMBL2213546 0.75 KMO (0.73) RXRARXRBKMOPTGER1DDT
SCHEMBL30259065 0.75 KMO (0.73) RXRARXRBKMOPTGER1DDT
SCHEMBL2371293 0.75 KMO (0.61) RXRARXRBKMOCYP2A6PTGER1

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