SCHEMBL19440861

SCHEMBL19440861

Cc1ccnc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)[nH]n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ CTSA P10619 2/20 0.43
▸ ALOX15 P16050 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL19440878 0.90 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL19440838 0.87 KMT2A (0.50) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL17511304 0.86 HDAC3 (0.47) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL19440855 0.85 KMT2A (0.46) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL19440836 0.84 MEN1 (0.47) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL19442551 0.84 LRRK2 (0.44) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL19440841 0.83 HDAC3 (0.40) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL19440833 0.83 KMT2A (0.53) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL19440796 0.83 NPC1 (0.43) KMT2AMEN1SMN1; SMN2HDAC3HDAC4
SCHEMBL19440815 0.83 KMT2A (0.46) KMT2AMEN1SMN1; SMN2HDAC3HDAC4

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-9783510-B2 Small molecule mediated transcriptional induction of E-cadherin VANDERBILT UNIVERSITY (US) 2017-10-10 — — US disclosed
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