SCHEMBL14079162

SCHEMBL14079162

Cc1cn(CC(=O)c2ccc(Cl)cc2Cl)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.56
PLAA Q9Y263 1/20 0.56
ALPG P10696 1/20 0.54
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
HIF1A Q16665 1/20 0.51
P2RX7 Q99572 3/20 0.50
POLB P06746 2/20 0.50
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 2/20 0.43

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
SCHEMBL14079168 0.80 P2RX7 (0.56) ALDH1A1MAPK1HIF1AP2RX7ERCC5
SCHEMBL29707648 0.79 ALDH1A1 (0.61) PLAAALPGALDH1A1MAPK1HIF1A
SCHEMBL14079164 0.76 P2RX7 (0.52) ALDH1A1MAPK1HIF1AP2RX7POLB
SCHEMBL2454118 0.74 CA12 (0.60) PLAAALPGALDH1A1MAPK1HIF1A
SCHEMBL14079167 0.73 ALPL (0.54) ALPLPLAAALPGALDH1A1MAPK1
SCHEMBL4969959 0.73 ALPL (0.65) ALPLPLAAALPGPOLBKMT2A
Hydrochloric Acid SCHEMBL9996121 0.72 CA12 (0.59) PLAAALPGALDH1A1MAPK1HIF1A
SCHEMBL29712843 0.71 ALDH1A1 (0.69) ALDH1A1MAPK1HIF1APOLBERCC5
SCHEMBL1144066 0.71 ALDH1A1 (0.69) ALDH1A1MAPK1HIF1APOLBERCC5
SCHEMBL16411136 0.71 ALDH1A1 (0.59) ALDH1A1MAPK1HIF1AP2RX7POLB

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
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed