SCHEMBL8443771

SCHEMBL8443771

O=C(O)c1cccc(-c2cccc3sccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.49
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
FOLH1 Q04609 3/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
DDT P30046 1/20 0.43
PTGER1 P34995 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
AXL P30530 1/20 0.42
KEAP1 Q14145 1/20 0.42
MAPK1 P28482 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40

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
SCHEMBL8440135 0.83 AXL (0.46) ADRA2AADRA2BAXLMAPK1
SCHEMBL8440031 0.82 HDAC2 (0.56) KMOFOLH1RXRARXRBDDT
SCHEMBL8803739 0.81 SLC9A1 (0.52)
SCHEMBL8803737 0.79 ADRA2A (0.41) ADRA2AADRA2BNR1H4
SCHEMBL4315241 0.78 ADRA2A (0.49) ADRA2AADRA2BMAPK1
SCHEMBL10944347 0.78 ADRA2A (0.51) ADRA2AADRA2B
SCHEMBL15359201 0.76 ADRA2A (0.45) ADRA2AADRA2B
SCHEMBL30259065 0.76 KMO (0.73) KMOFOLH1RXRARXRBDDT
SCHEMBL2213546 0.76 KMO (0.73) KMOFOLH1RXRARXRBDDT
SCHEMBL7596515 0.75 XDH (0.44) KMO

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