SCHEMBL29114709

SCHEMBL29114709

CC(=O)c1cscc1OCc1ccc(CN2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.58
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL29114722 0.99 HRH3 (0.59) HRH3MEN1KMT2A
SCHEMBL29114727 0.89 HRH3 (0.46) HRH3KMT2A
SCHEMBL30697081 0.82 HRH3 (0.41) HRH3MEN1KMT2A
SCHEMBL29114717 0.78 EPHX2 (0.47) KMT2A
SCHEMBL23039639 0.78 HRH3 (0.55) HRH3
SCHEMBL22711409 0.76 HRH3 (0.57) HRH3
SCHEMBL29114721 0.76 MAPT (0.42)
SCHEMBL22711452 0.74 HRH3 (0.51) HRH3
SCHEMBL1335914 0.74 HRH3 (1.00) HRH3
SCHEMBL23039636 0.73 HRH3 (0.54) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655685-B Thiophene derivative and use thereof 藤本株式会社 2023-11-17 CN disclosed