SCHEMBL27601314

SCHEMBL27601314

CC(C)(C)NC(=O)OCC(=O)Nc1nc(-c2ccc(NC(=O)CN(C(=O)c3ccc(F)cc3)c3ccc4c(c3)OCO4)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ HTT P42858 2/20 0.51
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 9/20 0.44
▸ MAPT P10636 8/20 0.44
▸ SMN1; SMN2 Q16637 7/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ROCK1 Q13464 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ PKM P14618 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
SCHEMBL6176759 0.87 RAB9A (0.57) KMT2AMEN1HTTPOLBLMNA
Hydrochloric Acid SCHEMBL6175614 0.85 MAPT (0.49) KMT2AMEN1HTTLMNAMAPT
SCHEMBL6172214 0.82 MAPT (0.51) KMT2AMEN1HTTPOLBLMNA
SCHEMBL27601341 0.80 MAPT (0.47) KMT2AMEN1HTTPOLBLMNA
SCHEMBL6174882 0.78 POLB (0.49) KMT2AMEN1HTTPOLBLMNA
SCHEMBL6176630 0.71 RAB9A (0.65) KMT2AMEN1HTTPOLBLMNA
Hydrochloric Acid SCHEMBL6173338 0.70 RAB9A (0.50) KMT2AMEN1POLBLMNAMAPT
SCHEMBL6174603 0.70 MAPT (0.53) KMT2AMEN1HTTPOLBLMNA
SCHEMBL27601312 0.69 KMT2A (0.45) KMT2AMEN1HTTLMNAMAPT
SCHEMBL28752208 0.69 MAPT (0.48) KMT2AMEN1POLBMAPTSMN1; 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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