SCHEMBL15041007

SCHEMBL15041007

CC(=O)c1ccc2c(c1)sc1cc(C(C)=O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.49
MAPT P10636 4/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
CYP2A6 P11509 1/20 0.42
LIMK1 P53667 1/20 0.42
KIF11 P52732 1/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRKCI P41743 1/20 0.40
KMT2A Q03164 1/20 0.40
S100A4 P26447 1/20 0.40
HSD17B1 P14061 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL7111037 0.91 MAPT (0.54) CA2MAPTHPGDALDH1A1RAB9A
SCHEMBL10031355 0.88 LIMK1 (0.47) CA2MAPTHPGDALDH1A1RAB9A
SCHEMBL3169910 0.83 CYP1A2 (0.47) CA2MAPTHPGDALDH1A1RAB9A
SCHEMBL10371809 0.81 CA2 (0.42) CA2MAPTHPGDALDH1A1RAB9A
SCHEMBL30414903 0.80 KDM4E (0.48) CA2MAPTHPGDALDH1A1RAB9A
SCHEMBL204515 0.80 KDM4E (0.48) CA2MAPTHPGDALDH1A1RAB9A
SCHEMBL15024214 0.80 MAPT (0.51) CA2MAPTHPGDALDH1A1RAB9A
SCHEMBL10954079 0.80 CA2 (0.41) CA2MAPTHPGDALDH1A1RAB9A
SCHEMBL10954796 0.80 CA2 (0.41) CA2MAPTHPGDALDH1A1RAB9A
SCHEMBL7915404 0.79 CYP1A2 (0.60) MAPTHPGDALDH1A1RAB9ANPC1

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-2791275-B1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2017-05-31 EP disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
US-20140358198-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2014-12-04 US disclosed
WO-2013087162-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2013-06-20 WO disclosed