SCHEMBL8787494

SCHEMBL8787494

O=c1oc2ccc(SCl)cc2cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.71
NPC1 O15118 7/20 0.71
MAPT P10636 9/20 0.58
TP53 P04637 7/20 0.58
USP2 O75604 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CASP1 P29466 4/20 0.58
BRCA1 P38398 4/20 0.58
CASP7 P55210 4/20 0.58
ATM Q13315 3/20 0.58
POLB P06746 3/20 0.58
HBB P68871 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
PTK2B Q14289 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56

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
SCHEMBL8787220 0.85 NPC1 (0.74) RAB9ANPC1MAPTTP53USP2
SCHEMBL4583148 0.83 RAB9A (1.00) RAB9ANPC1MAPTTP53USP2
SCHEMBL12388192 0.83 NPC1 (0.74) RAB9ANPC1MAPTTP53USP2
SCHEMBL24270308 0.83 RAB9A (0.74) RAB9ANPC1MAPTTP53USP2
SCHEMBL12388196 0.83 TP53 (0.81) RAB9ANPC1MAPTTP53USP2
SCHEMBL12762296 0.81 MAPT (0.84) RAB9ANPC1MAPTTP53USP2
SCHEMBL8787946 0.77 RAB9A (0.65) RAB9ANPC1MAPTTP53USP2
Coumarin SCHEMBL28710843 0.77 RAB9A (0.85) RAB9ANPC1MAPTTP53USP2
SCHEMBL12388198 0.76 RAB9A (0.70) RAB9ANPC1MAPTTP53USP2
SCHEMBL12814273 0.76 RAB9A (0.74) RAB9ANPC1MAPTTP53USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698575-A Chromone compounds, pharmaceutical compositions containing the same, and use of the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1997-12-16 US disclosed
EP-0758649-A1 Chromone derivative, process for preparing same and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1997-02-19 EP disclosed