SCHEMBL7828077

SCHEMBL7828077

COC(=O)c1ccc(OCC(=O)O)c(-n2cccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 5/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
LMNA P02545 1/20 0.40
FGFR1 P11362 1/20 0.39

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
SCHEMBL7824617 0.85 HPGD (0.53) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL7824669 0.84 CYP4A11 (0.43) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL7826365 0.84 HPGD (0.44) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL7816653 0.83 MAPT (0.54) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL15304413 0.81 PTGDR2 (0.57) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL1495947 0.80 MEN1 (0.51) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL7831007 0.80 RAB9A (0.47) KMT2ASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL8704791 0.79 ITGB3 (0.39) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL7822874 0.79 SLC9A1 (0.40) MEN1KMT2ASMN1; SMN2POLBPDE4A
SCHEMBL14199206 0.78 PTGDR2 (0.42) MEN1KMT2ASMN1; SMN2POLBMAPT

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 3 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
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed