SCHEMBL1458946

SCHEMBL1458946

CC(C(N)=O)(c1ccccc1)c1nccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
NR3C1 P04150 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NR1H2 P55055 1/20 0.39
RBBP9 O75884 1/20 0.38
ALOX5 P09917 3/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL667098 0.82 KDM4E (0.49) KMT2AKDM4EMEN1NR3C1HDAC3
SCHEMBL665543 0.81 HSPA5 (0.38) KMT2AKDM4ENR3C1RBBP9NPC1
SCHEMBL662298 0.79 NR1H2 (0.41) KMT2AMAPTKDM4EMEN1NR1H2
SCHEMBL17439469 0.78 KMT2A (0.46) KMT2AMAPTKDM4EMEN1ALOX5
SCHEMBL666600 0.78 KMT2A (0.39) KMT2AMAPTMEN1NR3C1NR1H2
SCHEMBL662586 0.78 CYP2D6 (0.43) KMT2AMAPTMEN1NR3C1NR1H2
Hydrochloric Acid SCHEMBL29096654 0.78 MAPT (0.65) KMT2AMAPTKDM4EHDAC3HDAC4
SCHEMBL667810 0.77 MAPT (0.36) KMT2AMAPTKDM4EMEN1NR3C1
SCHEMBL7830805 0.76 RBBP9 (0.40) KMT2AMAPTMEN1NR3C1NR1H2
SCHEMBL2781433 0.76 MAPT (0.68) KMT2AMAPTKDM4EHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483280-A1 NEW AMINOACID DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS INHIBITORS OF ONCOGENIC SIGNALS BY THE MET FAMILY Université d'Aix-Marseille (FR) 2012-08-08 EP claimed
EP-2305688-A1 Novel aminoacids derivatives, their process of preparation and their therapeutical uses as MET inhibitors Université de la Méditerranée - Aix-Marseille II (FR) 2011-04-06 EP claimed
WO-2011036303-A1 NEW AMINOACID DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS INHIBITORS OF ONCOGENIC SIGNALS BY THE MET FAMILY UNIVERSITE DE LA MEDITERRANEE AIX-MARSEILLE II (FR) 2011-03-31 WO claimed
EP-2483280-A1 NEW AMINOACID DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS INHIBITORS OF ONCOGENIC SIGNALS BY THE MET FAMILY Université d'Aix-Marseille (FR) 2012-08-08 EP disclosed
EP-2305688-A1 Novel aminoacids derivatives, their process of preparation and their therapeutical uses as MET inhibitors Université de la Méditerranée - Aix-Marseille II (FR) 2011-04-06 EP disclosed
WO-2011036303-A1 NEW AMINOACID DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS INHIBITORS OF ONCOGENIC SIGNALS BY THE MET FAMILY UNIVERSITE DE LA MEDITERRANEE AIX-MARSEILLE II (FR) 2011-03-31 WO disclosed