SCHEMBL29018616

SCHEMBL29018616

NC(=O)c1ccsc1-c1cc2cc[nH]c2cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PI4K2A Q9BTU6 2/20 0.38
▸ SYK P43405 4/20 0.38
▸ IKBKB O14920 2/20 0.37
▸ CHUK O15111 2/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAOB P27338 4/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ CDC7 O00311 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
SCHEMBL4960140 0.73 PI4K2A (0.46) PI4K2AIKBKBCHUKALDH1A1PDPK1
SCHEMBL20476405 0.72 KDM5C (0.51) HDAC6GRM4MAPK1MAOBRIPK1
SCHEMBL1207795 0.71 HDAC6 (0.48) HDAC6PI4K2ASYKIKBKBCHUK
SCHEMBL31707849 0.71 LIMK1 (0.43) HDAC6PI4K2ASYKGRM4MAOB
Hydrochloric Acid SCHEMBL3831639 0.70 HDAC6 (0.47) HDAC6PI4K2ASYKIKBKBCHUK
SCHEMBL7159839 0.69 MAPT (0.44) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL2564058 0.66 ROCK2 (0.50) MEN1ALDH1A1MAPTKMT2ACHEK1
SCHEMBL30039613 0.66 CSNK1A1 (0.49) HDAC6PI4K2ASYKIKBKBCHUK
SCHEMBL21359258 0.65 HDAC6 (0.66) HDAC6SYKMAPTMAPK1MAOB
SCHEMBL21358965 0.65 HDAC6 (0.45) HDAC6PI4K2AALDH1A1MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4635954-A1 INDUCER FOR INDUCING MESENCHYMAL-EPITHELIAL TRANSITION AND REPROGRAMMING Iregene Therapeutics Co., Ltd (CN) 2025-10-22 — — EP disclosed
WO-2024124463-A1 PYRROLOPYRIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉睿健医药科技有限公司 2024-06-20 — — WO disclosed
WO-2024124464-A1 INDUCER FOR INDUCING MESENCHYMAL-EPITHELIAL TRANSITION AND REPROGRAMMING 武汉睿健医药科技有限公司 2024-06-20 — — WO disclosed
CN-116283964-A Pyrrolopyridine derivative, and pharmaceutical composition and application thereof 武汉睿健医药科技有限公司 2023-06-23 — — CN disclosed
CN-115948325-A Inducer for inducing transformation and reprogramming of mesenchymal cells to epithelial cells 武汉睿健医药科技有限公司 2023-04-11 — — CN disclosed
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