SCHEMBL7816484

SCHEMBL7816484

Cc1ccc(C)n1-c1cccc(C(=O)N=C(N)N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPT P10636 3/20 0.62
POLB P06746 3/20 0.62
MEN1 O00255 2/20 0.62
ALOX15 P16050 2/20 0.62
KMT2A Q03164 2/20 0.62
NR4A1 P22736 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
USP2 O75604 1/20 0.62
MYC P01106 1/20 0.62
HSPA1A P0DMV8 1/20 0.62
GAA P10253 1/20 0.62
PTPN7 P35236 1/20 0.62
RECQL P46063 1/20 0.62
BLM P54132 1/20 0.62
HSD17B10 Q99714 1/20 0.62
PKM P14618 1/20 0.49
CASP1 P29466 1/20 0.47

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
SCHEMBL16720590 0.84 KDM4E (0.74) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL7816488 0.82 SLC9A1 (0.43) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL7816709 0.82 SLC9A1 (0.43) SLC9A1PARP1HTR2BHTR7
SCHEMBL9395941 0.81 SLC9A1 (0.45) KDM4EALDH1A1MAPTPOLBMEN1
Hydrochloric Acid SCHEMBL7826938 0.81 HTR2B (0.44) SLC9A1PARP1HTR2BHTR7
Hydrochloric Acid SCHEMBL7826484 0.80 SLC9A1 (0.44) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL1388132 0.78 AOC2 (0.58) MAPTL3MBTL1SLC9A1HTR2BHTR7
SCHEMBL2116038 0.77 KDM4E (1.00) KDM4EALDH1A1MAPTPOLBMEN1
SCHEMBL12858740 0.77 PARP1 (0.63) SLC9A1PARP1SMN1; SMN2HTR2BHTR7
Hydrochloric Acid SCHEMBL7830743 0.77 AOC2 (0.56) MAPTL3MBTL1SLC9A1HTR2BHTR7

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