SCHEMBL2909862

SCHEMBL2909862

COc1ccc(-c2ncccc2CNC2CCN(S(=O)(=O)c3ccccc3)CC2)nc1O[C@@H]1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
GAA P10253 4/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 2/20 0.37
ADRB3 P13945 3/20 0.37
CCR6 P51684 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
ADRB1 P08588 1/20 0.36
SYK P43405 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL2910850 0.92 MAPT (0.39) GAAMAPK1HSD17B10MAPTTRPV1
SCHEMBL2909504 0.84 SYK (0.41) GAAKMT2ASYKMEN1ALDH1A1
SCHEMBL2902816 0.84 PDCD1 (0.41) HSD17B10MAPTSYKTP53
SCHEMBL2906139 0.71 KMT2A (0.41) GAATSHRHSD17B10KMT2AMEN1
SCHEMBL2910038 0.70 SYK (0.39) SYK
SCHEMBL14095785 0.68 KMT2A (0.56) USP2TSHRPKMCCR6KMT2A
SCHEMBL2906140 0.68 TP53 (0.35) GAAMAPTKMT2AMEN1TP53
SCHEMBL2909267 0.68 TP53 (0.35) GAAMAPTKMT2AMEN1TP53
SCHEMBL2901841 0.67 VCP (0.43) PKMALDH1A1
SCHEMBL2901839 0.67 VCP (0.43) PKMALDH1A1

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-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP claimed