SCHEMBL7522646

SCHEMBL7522646

SCc1ccc(Cc2ccc(CS)c(CS)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.41
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 2/20 0.33
IDH1 O75874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
DHFR P00374 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
SCHEMBL63030 0.85 IDO1 (0.48) IDO1
SCHEMBL635341 0.80 IDO1 (0.58) IDO1CA2CA1CA4CA6
SCHEMBL11207177 0.71 CNR1 (0.45) IDO1CA2
SCHEMBL127369 0.71 IDO1 (0.69) IDO1ESR1ESR2CYP3A4ALDH1A1
SCHEMBL3174138 0.70 IDO1 (0.78) IDO1CA2CA1IDH1
SCHEMBL14581610 0.68 TRPA1 (0.41) IDO1CA2ALDH1A1MAPTRAB9A
SCHEMBL7529483 0.65 DHFR (0.46) IDO1ALDH1A1MAPTRAB9ADHFR
SCHEMBL16982325 0.65 GABRA1 (0.45) IDO1CA2CA1CA4CA6
SCHEMBL330965 0.64 IDO1 (0.41) IDO1TDP1MAPT
SCHEMBL14194626 0.64 IDO1 (0.46) IDO1CA1CYP3A4ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108431149-B Anti-biofouling coatings based on epoxy resins and amine functional polysiloxanes 陶氏环球技术有限责任公司 2020-11-20 CN disclosed
US-20180355189-A1 ANTI-BIOFOULING COATING BASED ON EPOXY RESIN AND AMINE-FUNCTIONAL POLYSILOXANE ROHM AND HAAS COMPANY 2018-12-13 US disclosed
EP-0669949-B1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS COGNIS CORP (US) 2002-03-13 EP disclosed
EP-0669949-A4 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS. HENKEL CORP (US) 1996-07-10 EP disclosed
EP-0669949-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1995-09-06 EP disclosed
US-5444127-A Urea, thiourea, guanidine derivatives, curing agents for epoxy resins, odorless, low temperature HENKEL CORPORATION (US) 1995-08-22 US disclosed
WO-1994009051-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1994-04-28 WO disclosed
EP-0014745-B1 CURING AGENT FOR POLYEPOXIDES, CURABLE EPOXY RESIN COMPOSITIONS, HARDENED PRODUCTS THEREFROM AND PROCESS FOR CURING A POLYEPOXIDE DIAMOND SHAMROCK CORPORATION (US) 1983-05-25 EP disclosed
US-4383090-A HIGH SPEED; COCURING AGENT OF POLYAMIDE-POLYLACTAM COPOLYMER; FILMS; CASTINGS; POTTING; ADHESIVES DIAMOND SHAMROCK CORPORATION (US) 1983-05-10 US disclosed
EP-0075827-A2 Polyepoxide curing by polymercaptans plus catalytic co-curing agents DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1983-04-06 EP disclosed
EP-0014745-A1 Curing agent for polyepoxides, curable epoxy resin compositions, hardened products therefrom and process for curing a polyepoxide DIAMOND SHAMROCK CORPORATION (US) 1980-09-03 EP disclosed
US-4177173-A INFUSIBLE FILMS, CASTINGS OR ADHESIVES DIAMOND SHAMROCK CORPORATION (US) 1979-12-04 US disclosed