SCHEMBL2910850

SCHEMBL2910850

COc1ccc(-c2ncccc2CNC2CCCN(S(=O)(=O)c3ccccc3)C2)nc1O[C@@H]1CCOC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SYK P43405 2/20 0.36
FFAR2 O15552 2/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
ADRB2 P07550 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 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
SCHEMBL2902816 0.92 PDCD1 (0.41) MAPTRXFP1SYKHSD17B10
SCHEMBL2909862 0.92 GSK3B (0.38) MAPTMAPK1TRPV1SYKALDH1A1
SCHEMBL2909504 0.84 SYK (0.41) SYKALDH1A1GAA
SCHEMBL2908560 0.72 L3MBTL1 (0.43) L3MBTL1MAPK1ALDH1A1POLBLMNA
SCHEMBL2908562 0.69 ADORA2A (0.36) MAPTFFAR2ALDH1A1GAAPOLB
SCHEMBL2910476 0.69 ADORA2A (0.36) MAPTFFAR2ALDH1A1GAAPOLB
SCHEMBL2910038 0.68 SYK (0.39) SYK
SCHEMBL2906139 0.67 KMT2A (0.41) L3MBTL1ALDH1A1GAAPOLBHSD17B10
SCHEMBL2906140 0.63 TP53 (0.35) MAPTFFAR2ALDH1A1GAALMNA
SCHEMBL2909267 0.63 TP53 (0.35) MAPTFFAR2ALDH1A1GAALMNA

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