SCHEMBL7523316

SCHEMBL7523316

CN(C)c1cccc(CS)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ FOLH1 Q04609 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ NOS1 P29475 2/20 0.42
▸ APP P05067 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ FYN P06241 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 2/20 0.37

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
SCHEMBL6011706 0.83 ALDH1A1 (0.45) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL11861528 0.82 HDAC1 (0.60) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL11404905 0.80 KMT2A (0.43) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL129446 0.80 SIGMAR1 (0.51) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL30966769 0.80 SIGMAR1 (0.51) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL24687861 0.78 ALDH1A1 (0.48) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL27332 0.78 ALDH1A1 (0.54) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL21847308 0.78 ALDH1A1 (0.48) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL348900 0.78 ALDH1A1 (0.48) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL2153894 0.78 ALDH1A1 (0.48) ALDH1A1TSHRHDAC1HDAC6KMT2A

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
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
EP-0075827-A2 Polyepoxide curing by polymercaptans plus catalytic co-curing agents DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1983-04-06 — — EP disclosed
US-4177173-A INFUSIBLE FILMS, CASTINGS OR ADHESIVES DIAMOND SHAMROCK CORPORATION (US) 1979-12-04 — — US disclosed
Send feedback