SCHEMBL28537192

SCHEMBL28537192

CC(C)(C#N)SC(=S)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.35
NPC1 O15118 3/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL16107022 0.82 CA2 (0.40) HTTSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL237868 0.81 ALDH1A1 (0.36) MEN1KMT2AHTTSMN1; SMN2MAPK1
SCHEMBL13933709 0.81 PDE4A (0.41) HTTSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL14329435 0.79 EPHX2 (0.36) SMN1; SMN2HPGDPPARGPPARA
SCHEMBL165630 0.72 CES2 (0.39) MEN1KMT2ASMN1; SMN2POLBNPC1
SCHEMBL5257341 0.70 MAPT (0.43) MEN1KMT2AHTTSMN1; SMN2MAPK1
SCHEMBL11367471 0.69 ALDH1A1 (0.41) KMT2AHTTSMN1; SMN2MAPK1NPC1
SCHEMBL163804 0.69 KMT2A (0.41) MEN1KMT2AHTTSMN1; SMN2POLB
SCHEMBL18113104 0.67 CYP3A4 (0.51) KMT2AHTTSMN1; SMN2MAPK1MAPT
SCHEMBL7879539 0.67 MAOA (0.45) MEN1KMT2AHTTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113891911-B Rubber composition, sulfide, and vulcanized molded article 电化株式会社 2024-10-29 CN disclosed
CN-116323785-A Rubber composition, sulfide, and vulcanized molded article 电化株式会社 2023-06-23 CN disclosed
CN-116323784-A Rubber composition, sulfide, and vulcanized molded article 电化株式会社 2023-06-23 CN disclosed
CN-110167982-B Block copolymer and method for producing block copolymer 电化株式会社 2022-10-04 CN disclosed
CN-113891911-A Rubber composition, vulcanizate and vulcanized molded article 电化株式会社 2022-01-04 CN disclosed
CN-112533990-A Rubber composition, vulcanized rubber, and molded article of the vulcanized rubber 电化株式会社 2021-03-19 CN disclosed