SCHEMBL17004136

SCHEMBL17004136

COc1c(C)c(C(=O)c2ccc3[nH]c(C)c(OC(=O)O)c(=O)c3c2)n2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 10/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL321473 0.88 HTT (0.41) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL321028 0.85 HCRTR1 (0.44) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL321038 0.83 KDM4E (0.42) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL14916185 0.81 HTT (0.39) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL321863 0.80 CA12 (0.41) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL14916577 0.80 BRD4 (0.40) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL321471 0.80 ALDH1A1 (0.39) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL14916426 0.79 MAPT (0.39) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL12505747 0.79 POLB (0.42) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL17004134 0.78 HTT (0.39) HTTALDH1A1MAPTKMT2AMEN1

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-2590975-B1 INDOLIZINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2015-08-19 — — EP claimed
Send feedback