SCHEMBL8302266

SCHEMBL8302266

C=C(Nc1ccccc1)c1ccccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.45
PTGS1 P23219 2/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
NCOR2 Q9Y618 2/20 0.42
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 5/20 0.42
TP53 P04637 3/20 0.42
TSHR P16473 2/20 0.42
TAS2R38 P59533 2/20 0.42
TYR P14679 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CFTR P13569 1/20 0.41
RAB9A P51151 1/20 0.41
FADS1 O60427 2/20 0.41
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL24073904 0.89 MAPT (0.47) PRKCIPTGS1MAPTGAAALDH1A1
SCHEMBL24016418 0.77 ALDH1A1 (0.45) PTGS1MAPTGAAALDH1A1HSD17B10
SCHEMBL23958228 0.77 ALDH1A1 (0.51) MAPTGAAALDH1A1HSD17B10MEN1
SCHEMBL22435318 0.76 SMO (0.50) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL18941435 0.76 HPGD (0.61) MAPTALDH1A1HSD17B10TP53TAS2R38
SCHEMBL1140055 0.76 PTGS1 (0.68) PRKCIPTGS1HDAC3HDAC1HDAC2
SCHEMBL12464646 0.73 MAPT (0.52) MAPTGAAALDH1A1HSD17B10TP53
SCHEMBL26146839 0.73 TGM2 (0.44) PRKCIMAPTGAAALDH1A1HSD17B10
SCHEMBL21022105 0.72 HTT (0.47) MAPTGAAHDAC3HDAC1HDAC2
SCHEMBL12525977 0.72 NSD2 (0.54) MAPTGAAALDH1A1HSD17B10TSHR

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
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 WO disclosed