SCHEMBL4600212

SCHEMBL4600212

CC(=O)c1[c]c2ccccc2s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 3/20 0.32
CYP2C19 P33261 1/20 0.32
PKM P14618 2/20 0.32
DDAH1 O94760 1/20 0.32
GSK3B P49841 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
BCL2L1 Q07817 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8560952 0.80 ALDH1A1 (0.45) ALDH1A1GAAMAPTNPC1KMT2A
SCHEMBL1121576 0.69 GPR3 (0.35) DYRK1A
SCHEMBL218556 0.64 GPR3 (0.35)
SCHEMBL4463876 0.64 CA4 (0.32) ALDH1A1GAAMAPTPKMSMN1; SMN2
Dibenzothiophene SCHEMBL11884108 0.60 GPR3 (0.67) CYP1A2ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL407602 0.59 BCL2L1 (0.69) ADORA1DYRK1ABCL2L1RAB9A
SCHEMBL7770222 0.58 MAPT (0.42) ADORA1DYRK1ACYP1A2ALDH1A1GAA
SCHEMBL3434131 0.57 PTGS2 (0.42) CYP1A2ALDH1A1GAAMAPTKMT2A
SCHEMBL279655 0.56 ALDH1A1 (0.53) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
Acetophenone SCHEMBL11620678 0.56 MAPT (0.65) ALDH1A1MAPTCYP2C19SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381567-B2 Dissociative fluorescence enhancement assay WALLAC OY (FI) 2008-06-03 US disclosed
EP-1483582-B1 DISSOCIATIVE FLUORESCENCE ENHANCEMENT ASSAY WALLAC OY (FI) 2008-04-16 EP disclosed
US-7211440-B2 Dissociative fluorescence enhancement assay WALLAC OY (FI) 2007-05-01 US disclosed
US-20070015284-A1 Dissociative fluorescence enhancement assay HEMMILA ILKKA 2007-01-18 US disclosed
EP-1483582-A1 DISSOCIATIVE FLUORESCENCE ENHANCEMENT ASSAY WALLAC OY (FI) 2004-12-08 EP disclosed
WO-2003076939-A1 DISSOCIATIVE FLUORESCENCE ENHANCEMENT ASSAY WALLAC OY (FI) 2003-09-18 WO disclosed
US-20030170907-A1 Dissociative fluorescence enhancement assay WALLAC OY (FI) 2003-09-11 US disclosed