SCHEMBL5048102

SCHEMBL5048102

CC(=O)c1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.79
NPC1 O15118 1/20 0.79
MAPT P10636 1/20 0.79
HSD17B1 P14061 1/20 0.68
SRD5A2 P31213 2/20 0.58
SRD5A1 P18405 1/20 0.58
PGR P06401 2/20 0.49
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
METAP1 P53582 1/20 0.45
KCNH2 Q12809 1/20 0.44
TDP2 O95551 1/20 0.44
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL14011688 0.93 MAPT (0.69) RAB9ANPC1MAPTHSD17B1SRD5A2
SCHEMBL30692090 0.89 RAB9A (1.00) RAB9ANPC1MAPTHSD17B1SRD5A2
SCHEMBL3399487 0.89 RAB9A (1.00) RAB9ANPC1MAPTHSD17B1SRD5A2
SCHEMBL11808856 0.86 SRD5A2 (0.62) RAB9ANPC1MAPTHSD17B1SRD5A2
SCHEMBL6536471 0.84 SRD5A2 (0.81) RAB9ANPC1MAPTHSD17B1SRD5A2
SCHEMBL11841857 0.84 MAPT (0.89) RAB9ANPC1MAPTHSD17B1SRD5A2
SCHEMBL9540956 0.83 SRD5A2 (0.58) RAB9ANPC1MAPTHSD17B1SRD5A2
SCHEMBL26575463 0.82 MAPT (0.85) RAB9ANPC1MAPTHSD17B1SRD5A2
SCHEMBL27602729 0.82 SRD5A2 (0.54) RAB9ANPC1MAPTHSD17B1SRD5A2
SCHEMBL407340 0.81 MAPT (0.82) RAB9ANPC1MAPTHSD17B1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013021344-A1 IMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS LUPIN LIMITED (IN) 2013-02-14 WO disclosed
WO-2013021344-A1 IMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS LUPIN LIMITED (IN) 2013-02-14 WO disclosed
US-7445825-B2 Donor sheet having a polymerizable, amorphous matrix with electrically active material disposed therein 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-11-04 US disclosed
US-20060008577-A1 Method and materials for patterning of a polymerizable, amorphous matrix with electrically active material disposed therein 3M INNOVATIVE PROPERTIES COMPANY 2006-01-12 US disclosed
EP-1417866-A1 METHOD AND MATERIALS FOR PATTERNING OF A POLYMERIZABLE, AMORPHOUS MATRIX WITH ELECTRICALLY ACTIVE MATERIAL DISPOSED THEREIN 3M Innovative Properties Company (US) 2004-05-12 EP disclosed
US-20030064248-A1 A transfer layer containing said matrix with a light emitting material is solution coated on a donor substrate, a portion of the transfer layer is selectively thermally transferred to a receptor and then the matrix is polymerized SAMSUNG DISPLAY CO., LTD. (KR) 2003-04-03 US disclosed
WO-2003017732-A1 METHOD AND MATERIALS FOR PATTERNING OF A POLYMERIZABLE, AMORPHOUS MATRIX WITH ELECTRICALLY ACTIVE MATERIAL DISPOSED THEREIN 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-02-27 WO disclosed
US-3939276-A ANTHRAQUINONES, ASTHMA, ANTIALLERGENS BURROUGHS WELLCOME CO. (US) 1976-02-17 US disclosed