SCHEMBL8763537

SCHEMBL8763537

N#CSc1ccccc1SC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
USP8 P40818 1/20 0.42
USP5 P45974 1/20 0.42
USP4 Q13107 1/20 0.42
USP7 Q93009 1/20 0.42
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAP2K1 Q02750 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAP2K2 P36507 2/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
AKT1 P31749 1/20 0.34

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
SCHEMBL9751834 0.84 USP2 (0.37) USP2USP8USP5USP4USP7
SCHEMBL3307820 0.84 USP2 (0.37) USP2USP8USP5USP4USP7
SCHEMBL7905009 0.82 HAO1 (0.40) USP2USP8USP5USP4USP7
SCHEMBL5490899 0.82 ALDH1A1 (0.41) USP2USP8USP5USP4USP7
SCHEMBL31026023 0.82 ALDH1A1 (0.41) USP2USP8USP5USP4USP7
SCHEMBL25142154 0.82 MYC (0.40) USP2USP8USP5USP4USP7
SCHEMBL1664376 0.82 MAPT (0.54) USP2USP8USP5USP4USP7
SCHEMBL231786 0.82 TSHR (0.44) USP2USP8USP5USP4USP7
SCHEMBL11241316 0.82 CYP1A2 (0.53) USP2USP8USP5USP4USP7
SCHEMBL31400322 0.82 USP2 (0.35) USP2USP8USP5USP4USP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116897044-A Parasiticidal rings comprising isoxazoline compounds 勃林格殷格翰动物保健有限公司 2023-10-17 CN disclosed
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed