SCHEMBL29922716

SCHEMBL29922716

COC(=O)c1nnc(Cl)cc1Nc1ccc(SC)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KMT2A Q03164 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ MITF O75030 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ PCSK9 Q8NBP7 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RXFP1 Q9HBX9 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
SCHEMBL28359360 1.00 KDM4E (0.41) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL29551893 0.88 MEN1 (0.40) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL29922724 0.83 SYK (0.46) KDM4EKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL28359017 0.83 SYK (0.46) KDM4EKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL15091106 0.81 LMNA (0.41) KDM4EALDH1A1HTTLMNASYK
SCHEMBL29922914 0.80 TYK2 (0.50) L3MBTL1MAPTJAK2JAK1TYK2
SCHEMBL28359104 0.80 TYK2 (0.50) L3MBTL1MAPTJAK2JAK1TYK2
SCHEMBL28359397 0.77 SYK (0.43) KDM4ERAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL29552428 0.77 SYK (0.43) KDM4ERAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL29922622 0.77 SYK (0.43) KDM4ERAB9AKMT2AALDH1A1L3MBTL1

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-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 — — CN disclosed
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