SCHEMBL9130580

SCHEMBL9130580

O=c1c(Br)csn1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
MPI P34949 1/20 0.34
KDM4E B2RXH2 2/20 0.31
HSD17B3 P37058 1/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL9576566 0.78 GSK3A (0.37) GSK3AGSK3BALDH1A1SMN1; SMN2CYP3A4
SCHEMBL80964 0.65 GSK3A (0.39) GSK3AGSK3BALDH1A1SMN1; SMN2CYP3A4
SCHEMBL11716332 0.64 ADORA3 (0.44) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KMT2A
SCHEMBL8346184 0.63 MPI (0.36) GSK3AGSK3BALDH1A1SMN1; SMN2CYP3A4
SCHEMBL676935 0.60 GSK3A (0.41) GSK3AGSK3BALDH1A1SMN1; SMN2CYP3A4
SCHEMBL11030142 0.60 GSK3A (0.41) GSK3AGSK3BALDH1A1SMN1; SMN2CYP3A4
SCHEMBL24079397 0.60 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL1059882 0.60 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL25118469 0.60 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL28719 0.60 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5465527-A Landscaping border ABLE CORPORATION (US) 1995-11-14 US claimed
US-5465527-A Landscaping border ABLE CORPORATION (US) 1995-11-14 US disclosed
EP-0147970-B1 MICROBIOCIDAL OR ANTIMICROBIAL BIOMEDICAL DEVICES ROHM AND HAAS COMPANY (US) 1989-03-01 EP disclosed
US-4542169-A Biomedical devices containing isothiazolones to control bacteria growth ROHM AND HAAS COMPANY (US) 1985-09-17 US disclosed
EP-0147970-A1 Microbiocidal or antimicrobial biomedical devices ROHM AND HAAS COMPANY (US) 1985-07-10 EP disclosed
US-4396413-A BACTERICIDES, FUNGICIDES, ALGICIDES ROHM AND HAAS COMPANY (US) 1983-08-02 US disclosed
US-4325201-A BACTERICIDES, FUNGICIDES, PESTICIDES, AND SLIMICIDES; PAINTS; PRESERVATIVES ROHM AND HAAS COMPANY (US) 1982-04-20 US disclosed
US-4322475-A BACTERICIDES, FUNGICIDES, ALGICIDES ROHM AND HAAS COMPANY (US) 1982-03-30 US disclosed
US-4279762-A Cutting oils containing 3-isothiazolones as biocides ROHM AND HAAS COMPANY (US) 1981-07-21 US disclosed
US-4265899-A FUNGICIDES, BACTERICIDES ROHM AND HAAS COMPANY (US) 1981-05-05 US disclosed
US-4252694-A MICROBIOCIDES ROHM AND HAAS COMPANY (US) 1981-02-24 US disclosed
US-4243403-A BACTERICIDES, ACRYLIC POLYMERS, FUNGICIDES ROHM AND HAAS COMPANY (US) 1981-01-06 US disclosed
US-4241214-A BACTERICIDE, FUNGICIDE AND ALGAECIDE ROHM AND HAAS COMPANY (US) 1980-12-23 US disclosed
US-4150026-A BACTERICIDES, FUNGICIDES, ALGICIDES ROHM AND HAAS COMPANY (US) 1979-04-17 US disclosed
US-4105431-A BACTERICIDES, FUNGICIDES, ALGICIDES ROHM AND HAAS COMPANY (US) 1978-08-08 US disclosed
US-4062946-A 3-ISOTHIAZOLONES ROHM AND HAAS COMPANY (US) 1977-12-13 US disclosed