SCHEMBL19440833

SCHEMBL19440833

Cc1ccnc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)[nH]n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPT P10636 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 3/20 0.45
▸ THRB P10828 1/20 0.45
▸ HTR2A P28223 1/20 0.44
▸ APP P05067 1/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ AHR P35869 1/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL19440828 0.88 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440869 0.87 KMT2A (0.53) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440806 0.86 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440816 0.86 KMT2A (0.53) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19442518 0.85 KMT2A (0.48) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440823 0.84 KMT2A (0.50) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440824 0.84 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440826 0.84 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL17540239 0.84 KMT2A (0.48) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440861 0.83 KMT2A (0.47) KMT2AMEN1MAPTHTR2ARAB9A

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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