SCHEMBL8909312

SCHEMBL8909312

O=C(O)n1c(=O)sc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.54
HTT P42858 3/20 0.54
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL10931067 0.84 P2RX4 (0.53) L3MBTL1HTTKDM4EPKMTSHR
SCHEMBL4616310 0.83 POLB (0.50) L3MBTL1HTTKDM4EPKMTSHR
SCHEMBL19514739 0.79 ALDH1A1 (0.47) L3MBTL1HTTKDM4EPKMSMN1; SMN2
SCHEMBL127551 0.79 SIGMAR1 (0.62) L3MBTL1HTTKDM4EPKMTSHR
SCHEMBL10732925 0.77 L3MBTL1 (0.43) L3MBTL1HTTKDM4EPKMTSHR
SCHEMBL10934750 0.76 SMN1; SMN2 (0.61) L3MBTL1HTTKDM4EPKMTSHR
SCHEMBL18190627 0.75 SIGMAR1 (0.44) NPC1RAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL542882 0.74 L3MBTL1 (0.50) L3MBTL1HTTKDM4EPKMTSHR
Acetic Acid SCHEMBL10572637 0.73 L3MBTL1 (0.50) L3MBTL1HTTKDM4EPKMTSHR
SCHEMBL10546592 0.73 L3MBTL1 (0.71) L3MBTL1HTTKDM4EPKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997043282-A2 BENZOTHIAZOLINONES AS ANTI-ASTHMATIC AGENTS KLINGE PHARMA GMBH (DE) 1997-11-20 WO disclosed