SCHEMBL4704551

SCHEMBL4704551

COc1ccc(-c2cc(OC(=O)NCCN)c(NC(=O)Nc3cnccn3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.49
▸ POLB P06746 2/20 0.49
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ CHEK1 O14757 3/20 0.39
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 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
SCHEMBL4208178 0.86 KDM4E (0.51) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL4706363 0.80 KDM4E (0.46) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL4703840 0.79 KDM4E (0.45) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL4705770 0.77 CHEK1 (0.45) KDM4EPOLBCHEK1
SCHEMBL14084408 0.73 KDM4E (0.65) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL4223869 0.72 CHEK1 (0.53) KDM4EPOLBCHEK1
SCHEMBL4210074 0.71 CHEK1 (0.54) KDM4EPOLBCHEK1
SCHEMBL4702659 0.71 CHEK1 (0.58) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL4703508 0.70 KDM4E (0.46) KDM4EPOLBKMT2AMEN1CHEK1
SCHEMBL4214293 0.70 CHEK1 (0.48) KDM4EPOLBRAB9ASMN1; SMN2KMT2A

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
EP-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 — — EP claimed
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