SCHEMBL28052835

SCHEMBL28052835

Cc1ncsc1CCC=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HPGD P15428 3/20 0.41
SLC6A3 Q01959 1/20 0.40
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL28052836 0.80
SCHEMBL2642153 0.78
SCHEMBL680649 0.75
SCHEMBL24461175 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL8011142 0.74
SCHEMBL5871890 0.74
SCHEMBL3091821 0.74
SCHEMBL259480 0.74
Clomethiazole SCHEMBL35223 0.74
SCHEMBL16697499 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105348215-B A kind of thiazole compound with beans Flavor odor characteristic and preparation method thereof 波顿(上海)生物技术有限公司 2018-01-02 CN disclosed
CN-105348215-A Thiazole compound characterized by bean aroma and preparation method thereof BODUN SHANGHAI BIOTECHNOLOGY CO LTD 2016-02-24 CN disclosed