SCHEMBL2902905

SCHEMBL2902905

O=C(O)c1cc(N2CCNCC2)nc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 3/20 0.49
TSHR P16473 3/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.48
P2RY12 Q9H244 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ITGA2B P08514 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CETP P11597 1/20 0.46
ADRB1 P08588 1/20 0.46
NCF1 P14598 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL2927049 0.86 HPGD (0.67) HTTHSD17B10KDM4ETSHRMAPT
SCHEMBL6394883 0.84 HPGD (0.63) HTTHSD17B10KDM4ETSHRMAPT
SCHEMBL981752 0.84 HTT (0.74) HTTHSD17B10KDM4ETSHRMAPT
SCHEMBL1206476 0.79 HDAC3 (0.48) KDM4EP2RY12MEN1KMT2A
SCHEMBL2902911 0.78 TDP1 (0.45) HTTHSD17B10KDM4ETSHRMAPT
SCHEMBL16785589 0.77 ADRB1 (0.47) HSD17B10KDM4ELMNACYP3A4NPSR1
SCHEMBL981610 0.76 P2RY12 (0.56) HTTHSD17B10KDM4ETSHRMAPT
SCHEMBL2909203 0.75 ALDH1A1 (0.54) HTTHSD17B10KDM4ETSHRMAPT
SCHEMBL19862430 0.75 CASP1 (0.43) HSD17B10KDM4ELMNACYP3A4NPSR1
SCHEMBL29521457 0.74 P2RY12 (0.59) TSHRMAPTHPGDLMNAP2RY12

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-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed