SCHEMBL3130237

SCHEMBL3130237

CC(=O)N(C)N(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SRD5A2 P31213 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 3/20 0.42
MAPT P10636 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 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
SCHEMBL1339099 0.79 NOTUM (0.53) NPC1MEN1KMT2ATSHRALDH1A1
SCHEMBL8953838 0.79 POLB (0.53) NPC1MEN1KMT2APOLBTSHR
Terephthalic Acid SCHEMBL2187152 0.78 TSHR (0.63) NPC1MEN1KMT2APOLBTSHR
SCHEMBL2383990 0.78 ALDH1A1 (0.46) NPC1MEN1KMT2APOLBTSHR
SCHEMBL3911047 0.78 TSHR (0.52) NPC1MEN1KMT2APOLBTSHR
SCHEMBL3573277 0.78 TDP1 (0.48) NPC1MEN1KMT2ATSHRTP53
SCHEMBL1339025 0.78 APP (0.40) ALDH1A1SMN1; SMN2HPGDMAPTCA1
SCHEMBL976776 0.77 TSHR (0.55) NPC1MEN1KMT2APOLBTSHR
SCHEMBL5581612 0.76 TSHR (0.60) NPC1MEN1KMT2APOLBTSHR
SCHEMBL33368 0.76 NPC1 (0.77) NPC1MEN1KMT2APOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 EP disclosed
EP-1742947-B1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-08-20 EP disclosed
EP-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
EP-1556382-B1 3-PHENYL SUBSTITUTED PYRIDOINDOLONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-28 EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 WO 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