SCHEMBL934232

SCHEMBL934232

CC(Cc1ccc2ncccc2c1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 1/20 0.53
ACACB O00763 2/20 0.50
HDAC3 O15379 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
PLK1 P53350 1/20 0.46
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL113636 0.81 ALDH1A1 (0.53) FCER2ACACBHDAC3MAPTNPC1
SCHEMBL29873370 0.81 ALDH1A1 (0.53) FCER2ACACBHDAC3MAPTNPC1
SCHEMBL13209550 0.79 HTR2A (0.62) FCER2CYP1A2
SCHEMBL1285448 0.79 HTR2A (0.62) FCER2CYP1A2
SCHEMBL11990779 0.79 ACACB (0.52) FCER2ACACBHDAC3MAPTNPC1
SCHEMBL5783367 0.79 PKM (0.55) FCER2ACACBHDAC3MAPTNPC1
SCHEMBL31711179 0.79 PKM (0.55) FCER2ACACBHDAC3MAPTNPC1
SCHEMBL21690018 0.79 PKM (0.55) FCER2ACACBHDAC3MAPTNPC1
SCHEMBL2297609 0.79 PKM (0.55) FCER2ACACBHDAC3MAPTNPC1
SCHEMBL464446 0.78 ACACB (0.51) FCER2ACACBHDAC3MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed