SCHEMBL29105155

SCHEMBL29105155

Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccccc3Br)n2C)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.80
▸ KCNQ4 P56696 1/20 0.80
▸ KCNQ5 Q9NR82 1/20 0.80
▸ KMT2A Q03164 7/20 0.63
▸ MEN1 O00255 4/20 0.63
▸ PTGES O14684 1/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ LMNA P02545 4/20 0.58
▸ HTT P42858 4/20 0.57
▸ GLA P06280 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ PKM P14618 1/20 0.50

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
SCHEMBL29105146 0.89 KCNQ2 (0.68) KCNQ2KCNQ4KCNQ5KMT2AMEN1
SCHEMBL29105142 0.83 KCNQ2 (0.83) KCNQ2KCNQ4KCNQ5KMT2AMEN1
SCHEMBL29105135 0.83 KCNQ2 (0.74) KCNQ2KCNQ4KCNQ5KMT2AMEN1
SCHEMBL4206740 0.78 PKM (0.67) KCNQ2KCNQ4KCNQ5KMT2AMEN1
SCHEMBL29105154 0.75 KCNQ2 (0.76) KCNQ2KCNQ4KCNQ5KMT2AMEN1
SCHEMBL14970817 0.72 ALDH1A1 (0.81) KCNQ2KCNQ4KCNQ5KMT2AMEN1
SCHEMBL4212339 0.72 TP53 (0.67) KCNQ2KCNQ4KCNQ5KMT2AMEN1
SCHEMBL4203649 0.72 PTGES (0.62) KMT2AMEN1PTGESLMNACYP3A4
SCHEMBL4206164 0.71 ALDH1A1 (0.75) KMT2AMEN1MAPK1L3MBTL1HPGD
SCHEMBL29105141 0.71 KCNQ2 (0.70) KCNQ2KCNQ4KCNQ5KMT2AMEN1

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-116763781-A Triazole derivative and preparation method and application thereof 华东师范大学 2023-09-19 — — CN disclosed
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