SCHEMBL7983907

SCHEMBL7983907

CC(Cc1ccc(C#N)cc1)(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 12/20 0.49
CTSS P25774 1/20 0.46
POLB P06746 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LSS P48449 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7983911 1.00 KAT6A (0.49) KAT6ACTSSPOLBCNR1CNR2
SCHEMBL7981747 0.88 MAPT (0.48) KAT6ALSS
SCHEMBL7981743 0.88 MAPT (0.48) KAT6ALSS
SCHEMBL7984111 0.87 KAT6A (0.50) KAT6APOLBMEN1NPC1RAB9A
SCHEMBL7984108 0.87 KAT6A (0.50) KAT6APOLBMEN1NPC1RAB9A
SCHEMBL7984352 0.83 BCHE (0.47) KMT2AALDH1A1LSSL3MBTL1
SCHEMBL7983826 0.82 POLB (0.44) KAT6APOLBKMT2AALDH1A1L3MBTL1
SCHEMBL7980778 0.82 POLB (0.44) KAT6APOLBKMT2AALDH1A1L3MBTL1
SCHEMBL8820376 0.75 CTSS (0.43) KAT6ACTSSPOLBCNR1CNR2
SCHEMBL8820352 0.75 CTSS (0.43) KAT6ACTSSPOLBCNR1CNR2

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-6284912-B1 Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives LG CHEMICAL, LTD. (KR) 2001-09-04 US disclosed
EP-1043309-A1 Process for synthesizing para-and/or meta-substituted cyanophenylalanine derivatives LG Chemical Ltd. (KR) 2000-10-11 EP disclosed