SCHEMBL14084408

SCHEMBL14084408

COc1ccc(-c2ccc(NC(=O)Nc3cnccn3)s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.65
▸ POLB P06746 2/20 0.65
▸ CNR1 P21554 4/20 0.58
▸ RAB9A P51151 5/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ PRKACA P17612 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ CHEK1 O14757 1/20 0.45
▸ LMNA P02545 1/20 0.44

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
SCHEMBL14517930 0.79 KDM4E (1.00) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL22834002 0.74 CNR1 (1.00) KDM4ECNR1RAB9ASMN1; SMN2NPC1
SCHEMBL4208178 0.74 KDM4E (0.51) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL14517931 0.73 KDM4E (0.74) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL4704551 0.73 KDM4E (0.49) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL5377039 0.72 KDM4E (0.73) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL4223869 0.72 CHEK1 (0.53) KDM4EPOLBCHEK1
SCHEMBL5377327 0.71 KDM4E (0.67) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL5381046 0.71 KDM4E (0.69) KDM4EPOLBRAB9ASMN1; SMN2KMT2A
SCHEMBL9843028 0.69 CNR1 (0.51) KDM4ECNR1RAB9ASMN1; SMN2PRKACA

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
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — US disclosed
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