SCHEMBL31060089

SCHEMBL31060089

[2H]c1c([2H])c([2H])c(Oc2cccc(OC)c2)c(NC(=O)CNC(=O)OC(C)(C)C)c1[2H]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 10/20 0.46
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MTNR1A P48039 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL26270707 0.85 MTNR1B (0.64) MTNR1BALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL31060091 0.81 MTNR1B (0.53) MTNR1BALDH1A1L3MBTL1LMNAMTNR1A
SCHEMBL31060099 0.79 MTNR1B (0.48) MTNR1BALDH1A1LMNAKDM4EPOLB
SCHEMBL31060090 0.78 MTNR1B (0.46) MTNR1BALDH1A1L3MBTL1LMNAMTNR1A
SCHEMBL17662315 0.76 KMT2A (0.60) ALDH1A1L3MBTL1LMNAKDM4EPOLB
SCHEMBL31522180 0.76 MTNR1B (0.50) MTNR1BALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL15145782 0.74 ALDH1A1 (0.52) ALDH1A1L3MBTL1KDM4ERAB9ASMN1; SMN2
SCHEMBL38663449 0.73 HDAC1 (0.48) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL26270737 0.73 ALDH1A1 (0.51) MTNR1BALDH1A1L3MBTL1LMNAMTNR1A
SCHEMBL20514222 0.71 PKM (0.50) —

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-118546074-A Deuterated proliferation cell nuclear antigen inhibitor and preparation method and application thereof 安徽贝克制药股份有限公司 2024-08-27 — — CN disclosed
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