SCHEMBL4706363

SCHEMBL4706363

COc1ccc(-c2cc(OC(=O)NC3CCNCC3)c(NC(=O)Nc3cnccn3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ HPGDS O60760 1/20 0.40
▸ CHEK1 O14757 6/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ HTR4 Q13639 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ NPC1 O15118 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
SCHEMBL4703840 0.95 KDM4E (0.45) KDM4EPOLBCHEK1MEN1KMT2A
SCHEMBL4705770 0.90 CHEK1 (0.45) KDM4EPOLBCHEK1
SCHEMBL4223869 0.88 CHEK1 (0.53) KDM4EPOLBHPGDSCHEK1HTR4
SCHEMBL4702659 0.88 CHEK1 (0.58) KDM4EPOLBCHEK1MEN1KMT2A
SCHEMBL4705874 0.83 CHEK1 (0.59) KDM4ECHEK1RAB9ASMN1; SMN2
SCHEMBL4210074 0.83 CHEK1 (0.54) KDM4EPOLBCHEK1
SCHEMBL4704094 0.83 CHEK1 (0.51) KDM4ECHEK1MEN1KMT2ARAB9A
SCHEMBL4702677 0.82 CHEK1 (0.55) CHEK1
SCHEMBL4704551 0.80 KDM4E (0.49) KDM4EPOLBCHEK1MEN1KMT2A
SCHEMBL4704507 0.80 CHEK1 (0.60) CHEK1

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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