SCHEMBL30619945

SCHEMBL30619945

Cc1ccc(N(C(C)C)C(C)C)c(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC7 Q8WUI4 1/20 0.45
▸ ELANE P08246 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ PSMB5 P28074 1/20 0.40
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAOB P27338 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTT P42858 1/20 0.35

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
SCHEMBL10039115 0.81 HDAC7 (0.46) HDAC7ELANEPTGDR2PSMB5LMNA
SCHEMBL22137224 0.79 HDAC7 (0.45) HDAC7ELANEPTGDR2PSMB5LMNA
SCHEMBL24359328 0.79 KMT2A (0.41) LMNASMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL28565885 0.78 PTPN1 (0.47) SMN1; SMN2CHRM1KDM4EALDH1A1L3MBTL1
SCHEMBL24359329 0.78 NPC1 (0.49) LMNAALDH1A1L3MBTL1
SCHEMBL11562308 0.76 HDAC7 (0.42) HDAC7ELANEPTGDR2PSMB5LMNA
SCHEMBL12288724 0.75 PGR (0.48) HDAC7ELANEPTGDR2PSMB5LMNA
SCHEMBL28330493 0.75 HDAC7 (0.41) HDAC7ELANEPTGDR2PSMB5LMNA
SCHEMBL277849 0.74 HDAC7 (0.50) HDAC7ELANEPTGDR2PSMB5LMNA
SCHEMBL29535942 0.74 HDAC7 (0.50) HDAC7ELANEPTGDR2PSMB5LMNA

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-112236460-B Free radical polymerizable putty-like resin composition, sealant, and crack repair method 株式会社力森诺科 2023-09-22 — — CN disclosed
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