SCHEMBL7826657

SCHEMBL7826657

COC(=O)c1cccc(-c2cccc3ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
AXL P30530 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PLAU P00749 3/20 0.51
SERPINE1 P05121 1/20 0.51
PDK2 Q15119 1/20 0.50
NEK1 Q96PY6 1/20 0.50
PDE5A O76074 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL5784050 0.84 HDAC8 (0.65) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL28755028 0.84 TSHR (0.60) NPC1RAB9AAXLPDK2NEK1
SCHEMBL8442857 0.84 DGAT2 (0.66) AXLALDH1A1SERPINE1NEK1DGAT2
SCHEMBL16502556 0.84 EGFR (0.54) NPC1RAB9AAXLKDM4EALDH1A1
SCHEMBL16502581 0.83 ALDH1A1 (0.53) NPC1RAB9AKDM4EALDH1A1TP53
Methane SCHEMBL28667111 0.83 TSHR (0.58) NPC1RAB9AAXLPDK2NEK1
SCHEMBL16548285 0.83 ERN1 (0.53) NPC1RAB9AAXLALDH1A1PLAU
SCHEMBL12171952 0.82 NPC1 (0.56) NPC1RAB9AAXLKDM4EALDH1A1
SCHEMBL16749656 0.82 CA12 (0.58) NPC1RAB9AAXLPLAUPDK2
SCHEMBL7830361 0.81 NR1H4 (0.57) NPC1RAB9AAXLPDK2NEK1

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