SCHEMBL19440887

SCHEMBL19440887

O=C(NCCCNC(=O)c1cc(-c2cccs2)[nH]n1)c1ccnc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPT P10636 3/20 0.46
▸ USP2 O75604 1/20 0.46
▸ CAMK2D Q13557 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ RAB9A P51151 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ PABPC1 P11940 1/20 0.39

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
SCHEMBL19440806 0.89 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19442513 0.86 KMT2A (0.53) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19442506 0.83 NPC1 (0.42) KMT2AMEN1MAPTKDM4EHDAC3
SCHEMBL19440828 0.83 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440812 0.83 HDAC3 (0.51) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440833 0.83 KMT2A (0.53) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19442517 0.82 KMT2A (0.50) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440869 0.82 KMT2A (0.53) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440831 0.82 KDM4E (0.60) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL17511055 0.82 RAB9A (0.60) KMT2AMEN1MAPTKDM4EPOLB

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