SCHEMBL19440869

SCHEMBL19440869

O=C(NCCCNC(=O)c1cc(-c2cccs2)[nH]n1)c1cc(-c2ccccc2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ USP2 O75604 1/20 0.48
▸ RAB9A P51151 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ NTRK3 Q16288 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTR2A P28223 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 0.87 SMN1; SMN2 (0.47) KMT2AMEN1RAB9AHDAC3HDAC1
SCHEMBL19440828 0.87 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440833 0.87 KMT2A (0.53) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19442518 0.84 KMT2A (0.48) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440866 0.83 KMT2A (0.49) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440887 0.82 KMT2A (0.53) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL19440831 0.82 KDM4E (0.60) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL17511052 0.82 RAB9A (0.61) KMT2AMEN1MAPTRAB9AKDM4E
SCHEMBL19440806 0.81 KMT2A (0.51) KMT2AMEN1L3MBTL1MAPTUSP2
SCHEMBL17540238 0.80 KMT2A (0.48) KMT2AMEN1L3MBTL1MAPTUSP2

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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