SCHEMBL4771057

SCHEMBL4771057

CC(=O)N(C)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CSNK2A1 P68400 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.41
SRD5A2 P31213 1/20 0.41
MEN1 O00255 2/20 0.41
MITF O75030 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL1338109 0.82 NAPRT (0.50) TP53TSHRALDH1A1SMN1; SMN2EPHX2
SCHEMBL16592473 0.82 TSHR (0.52) TP53TSHRALDH1A1SMN1; SMN2EPHX2
SCHEMBL3568678 0.81 HPGD (0.54) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2383994 0.80 TDP1 (0.52) ALDH1A1SMN1; SMN2KMT2APKMMEN1
SCHEMBL2388164 0.78 EPHX1 (0.49) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
Terephthalic Acid SCHEMBL2187152 0.77 TSHR (0.63) TP53TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL2384032 0.76 RAB9A (0.56) TP53TSHRALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL9407876 0.73 TSHR (0.75) TP53TSHRALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL9407875 0.73 TSHR (0.75) TP53TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL10383661 0.72 TP53 (0.44) TP53TSHRALDH1A1SMN1; SMN2AKR1C3

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-1742947-B1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-08-20 EP disclosed
EP-1556382-B1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-28 EP disclosed
EP-1742947-A1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-17 EP disclosed
WO-2005108398-A1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-17 WO disclosed
EP-1556382-A1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-07-27 EP disclosed
WO-2004041817-A1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2004-05-21 WO disclosed