SCHEMBL7830882

SCHEMBL7830882

COC(=O)c1cccc(Cn2cccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
CYP4F2 P78329 2/20 0.60
CYP4A11 Q02928 2/20 0.60
ABHD6 Q9BV23 1/20 0.54
SLC7A5 Q01650 1/20 0.54
CD74 P04233 1/20 0.52
MIF P14174 1/20 0.52
MAPK10 P53779 1/20 0.52
MRGPRX4 Q96LA9 2/20 0.50
IDO1 P14902 1/20 0.50
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TRPA1 O75762 1/20 0.48
HIF1A Q16665 1/20 0.48
GAA P10253 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
SCHEMBL12472330 0.82 HDAC1 (0.63) LOXL2CYP4F2CYP4A11MAPTRAB9A
SCHEMBL14987126 0.81 HTT (0.71) LOXL2CYP4F2CYP4A11ABHD6SLC7A5
SCHEMBL29865385 0.80 HTT (0.65) MRGPRX4POLBL3MBTL1ALDH1A1HIF1A
SCHEMBL126284 0.80 LOXL2 (0.74) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL70173 0.80 CYP4F2 (0.83) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL1373046 0.79 CYP2D6 (0.67) LOXL2CYP4F2CYP4A11ABHD6SLC7A5
SCHEMBL20209837 0.79 CYP2D6 (0.62) LOXL2CYP4F2CYP4A11ABHD6SLC7A5
SCHEMBL95887 0.78 LOXL2 (0.72) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL31276630 0.78 CYP4F2 (0.75) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL30230926 0.78 LOXL2 (0.72) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4

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