SCHEMBL2583947

SCHEMBL2583947

NC(=O)c1cccc(NCCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
HTR7 P34969 1/20 0.54
MEN1 O00255 1/20 0.50
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
KCNH2 Q12809 1/20 0.48
PARP1 P09874 2/20 0.48
PARP15 Q460N3 2/20 0.48
PARP14 Q460N5 2/20 0.48
PARP10 Q53GL7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL3128121 0.84 CA12 (0.52) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15576273 0.80 LMNA (0.49) KMT2AL3MBTL1MEN1HDAC3HDAC4
SCHEMBL18893559 0.80 MEN1 (0.54) KMT2AHTR7MEN1PARP1PARP15
SCHEMBL3641509 0.79 HDAC2 (0.76) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL3957423 0.79 OPRM1 (0.63) KMT2APKMMEN1OPRM1OPRD1
SCHEMBL14292097 0.79 AURKA (0.59) NPC1RAB9A
SCHEMBL10189495 0.79 PARP1 (0.56) L3MBTL1OPRM1OPRD1OPRK1KCNH2
SCHEMBL11277128 0.78 AKR1C3 (0.57) KMT2AHTR7MEN1PARP1PARP15
SCHEMBL20997878 0.77 L3MBTL1 (0.49) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9448609 0.77 NPC1 (0.56) KMT2APKML3MBTL1HTR7MEN1

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-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed