SCHEMBL30528327

SCHEMBL30528327

CCOC(=O)C(c1ccncc1)N(Cc1ccc(OC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ BRD4 O60885 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 4/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ YAP1 P46937 2/20 0.38
▸ TEAD4 Q15561 2/20 0.38
▸ CYP17A1 P05093 1/20 0.38
▸ CDC7 O00311 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ POLB P06746 2/20 0.36

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
SCHEMBL16991845 0.88 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2GAAMAPT
SCHEMBL16991848 0.75 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2GAAMAPT
SCHEMBL24291657 0.74 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL11400130 0.73 LDHA (0.43) ALDH1A1HTTSMN1; SMN2USP2TSHR
SCHEMBL11579749 0.73 LDHA (0.43) ALDH1A1HTTSMN1; SMN2USP2TSHR
SCHEMBL10519344 0.73 LDHA (0.43) ALDH1A1HTTSMN1; SMN2USP2TSHR
SCHEMBL25609121 0.72 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL21741216 0.72 L3MBTL1 (0.41) ALDH1A1HTTSMN1; SMN2USP2TSHR
SCHEMBL29765181 0.72 L3MBTL1 (0.41) ALDH1A1HTTSMN1; SMN2USP2TSHR
SCHEMBL8893537 0.71 LDHA (0.44) ALDH1A1HTTSMN1; SMN2KMT2AMEN1

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-116444506-A Therapeutic compounds and compositions 艾克赛特赫拉制药有限责任公司 2023-07-18 — — CN disclosed
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