SCHEMBL27601312

SCHEMBL27601312

CC(=O)N(c1cccc(-c2csc(NC(=O)CNC(=O)OC(C)(C)C)n2)c1)N(C(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ HTT P42858 1/20 0.45
▸ CFTR P13569 3/20 0.44
▸ MAPT P10636 7/20 0.43
▸ LMNA P02545 7/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ HDAC3 O15379 4/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL30031302 0.76 HDAC3 (0.56) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL26967631 0.76 HDAC3 (0.56) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL22305996 0.74 HDAC3 (0.60) KMT2AMEN1HTTMAPTLMNA
SCHEMBL25193417 0.72 HDAC3 (0.58) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL21241785 0.72 HDAC3 (0.58) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL30061335 0.72 HDAC3 (0.58) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL21224263 0.71 HDAC3 (0.60) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL22306000 0.71 HDAC3 (0.58) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL30058922 0.71 HDAC3 (0.60) KMT2AMEN1HTTMAPTRAB9A
SCHEMBL31084669 0.71 HDAC3 (0.58) KMT2AMEN1HTTRAB9ASMN1; SMN2

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-1473157-A Amide derivatives ֮����ҩ��ʽ���� 2004-02-04 — — CN disclosed
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