SCHEMBL7829035

SCHEMBL7829035

COC(=O)c1cccc(-n2cccc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
MYC P01106 1/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CFTR P13569 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CXCR2 P25025 1/20 0.43
POLB P06746 2/20 0.42
ATM Q13315 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
SCHEMBL8876281 0.84 KMT2A (0.62) KMT2AMYCLMNATSHRALDH1A1
SCHEMBL7439407 0.83 TSHR (0.54) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL7826927 0.81 KMT2A (0.47) KMT2AMYCLMNATSHRALDH1A1
SCHEMBL1538293 0.80 TSHR (0.65) KMT2AMYCLMNATSHRALDH1A1
SCHEMBL2158508 0.79 ALDH1A1 (0.50) KMT2AMYCLMNATSHRALDH1A1
SCHEMBL7441090 0.79 ALDH1A1 (0.50) KMT2AMYCLMNAALDH1A1L3MBTL1
Guanidine SCHEMBL8704984 0.76 KMT2A (0.38) KMT2ALMNAALDH1A1L3MBTL1CYP2C9
SCHEMBL7827722 0.75 MYC (0.41) KMT2AMYCLMNATSHRALDH1A1
SCHEMBL7826913 0.75 GAA (0.52) KMT2AMYCLMNATSHRALDH1A1
Methyl 2,3-Dihydroxybenzoate SCHEMBL433982 0.74 LMNA (0.70) KMT2ALMNATSHRALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed