SCHEMBL7828490

SCHEMBL7828490

COC(=O)c1cccc(-n2c(C)ccc2C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 5/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
POLB P06746 2/20 0.51
MYC P01106 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
HSPA1A P0DMV8 1/20 0.51
ALOX15 P16050 1/20 0.51
NR4A1 P22736 1/20 0.51
PTPN7 P35236 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP2 O95551 1/20 0.47
TP53 P04637 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
SCHEMBL7010501 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTPOLBMYC
SCHEMBL7822643 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTGAAMEN1
Guanidine SCHEMBL8706280 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL7826960 0.80 TP53 (0.48) ALDH1A1MAPTGAAL3MBTL1TP53
SCHEMBL7816488 0.77 SLC9A1 (0.43) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL8706283 0.76 KDM4E (0.45) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL7816491 0.75 KDM4E (0.39) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL8706285 0.74 KDM4E (0.39) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL7826732 0.73 ALDH1A1 (0.57) ALDH1A1MAPTGAAMEN1ALOX15
SCHEMBL4379826 0.72 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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