SCHEMBL9944501

SCHEMBL9944501

O=C(NC1CC1NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
HSD17B10 Q99714 2/20 0.52
HDAC3 O15379 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
IDO1 P14902 1/20 0.52
ALOX15 P16050 1/20 0.52
HDAC1 Q13547 1/20 0.52
CA9 Q16790 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
NFKB1 P19838 1/20 0.51

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
SCHEMBL1116600 0.88 TDP1 (0.53) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL29077534 0.88 TDP1 (0.53) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL106877 0.87 NPC1 (0.56) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL29344931 0.86 TDP1 (0.51) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL15978923 0.86 TDP1 (0.59) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL30914527 0.86 TDP1 (0.51) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL29781370 0.86 TDP1 (0.59) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL29781372 0.86 TDP1 (0.59) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL18231413 0.86 TDP1 (0.59) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL30914521 0.86 TDP1 (0.51) KMT2ANPC1RAB9AMEN1SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2472255-B1 SEPARATING AGENT FOR OPTICAL ISOMER DAICEL CORP (JP) 2016-05-25 EP disclosed
US-9028684-B2 Separating agent for optical isomer DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2015-05-12 US disclosed
US-9028684-B2 Separating agent for optical isomer DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2015-05-12 US disclosed
EP-2472255-A1 SEPARATING AGENT FOR OPTICAL ISOMER Daicel Corporation (JP) 2012-07-04 EP disclosed
US-20120149851-A1 SEPARATING AGENT FOR OPTICAL ISOMERS NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-14 US disclosed
US-20120149851-A1 SEPARATING AGENT FOR OPTICAL ISOMERS NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-14 US disclosed
US-20120007011-A1 Separating agent for optical isomer NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-01-12 US disclosed
US-20120007011-A1 Separating agent for optical isomer NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-01-12 US disclosed