SCHEMBL4351607

SCHEMBL4351607

CCOC(=O)Oc1c(Nc2ccncc2)c2cc(Cl)ccc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MAP4K4 O95819 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
KDM4C Q9H3R0 2/20 0.38
RAD52 P43351 1/20 0.37
MAPK1 P28482 1/20 0.36
ELANE P08246 1/20 0.36
TGFBR1 P36897 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL4347058 0.92 ALDH1A1 (0.42) MAPTMAP4K4LMNAL3MBTL1NAMPT
SCHEMBL4344098 0.89 NAMPT (0.39) MAPTMAP4K4LMNANAMPTALDH1A1
SCHEMBL4337480 0.84 MAP4K4 (0.48) MAPTMAP4K4LMNAL3MBTL1NAMPT
SCHEMBL4351602 0.79 GAA (0.44) MAPTLMNAL3MBTL1GAAALDH1A1
SCHEMBL4341123 0.79 LMNA (0.37) MAPTMAP4K4LMNAGAAALDH1A1
SCHEMBL9241874 0.78 LMNA (0.50) LMNAL3MBTL1GAAALDH1A1KDM4E
SCHEMBL4341686 0.77 ALOX15 (0.43) MAPTALOX15SRC
SCHEMBL4347805 0.77 KDM4C (0.48) MAP4K4NAMPTHTTKDM4C
SCHEMBL9239326 0.76 LMNA (0.48) LMNAL3MBTL1GAAALDH1A1HTT
SCHEMBL4345204 0.76 MAP4K4 (0.46) MAPTMAP4K4LMNAL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501797-B1 3-(SUBSTITUTED AMINO)-1H-INDOLE-2-CARBOXYLIC ACID ESTER AND 3-(SUBSTITUTED AMINO)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ESTER DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMA INC (US) 2009-08-05 EP claimed