SCHEMBL3455019

SCHEMBL3455019

COc1ccc(N)c(N(C)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.40
NOS2 P35228 2/20 0.40
CLK1 P49759 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK1B Q9Y463 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PDK1 Q15118 1/20 0.39

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
SCHEMBL3488383 0.91 PARP10 (0.45) MEN1KMT2ASMN1; SMN2HSP90AA1PDK1
SCHEMBL3487615 0.90 SMN1; SMN2 (0.51) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3487995 0.85 ALDH1A1 (0.40) ALDH1A1CYP3A4KDM4EMEN1MAPT
SCHEMBL3489386 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL502833 0.85 RAB9A (0.51) ALDH1A1MAPTSMN1; SMN2TDP1TSHR
SCHEMBL3488408 0.84 SMN1; SMN2 (0.35) KDM4EMAPTSMN1; SMN2CLK1DYRK1A
SCHEMBL3488037 0.82 ALDH1A1 (0.39) ALDH1A1CYP3A4MEN1KMT2AGAA
SCHEMBL6543782 0.81 PARP10 (0.42) ALDH1A1MEN1THRBKMT2ASMN1; SMN2
SCHEMBL3488177 0.81 HSD17B1 (0.44) ALDH1A1MAPTSMN1; SMN2TDP1HDAC2
SCHEMBL3488144 0.80 ACACB (0.36) SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226321-A2 Process for producing thiazolidinediones and intermediates thereof Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP disclosed
EP-1894929-A1 PROCESS FOR PRODUCING THIAZOLIDINEDIONE COMPOUND AND PRODUCTION INTERMEDIATE THEREOF Daiichi Sankyo Company, Limited (JP) 2008-03-05 EP disclosed