SCHEMBL13769079

SCHEMBL13769079

Cc1c(C=O)nc(C2CC2)nc1NCc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
PDE10A Q9Y233 9/20 0.46
CHRM3 P20309 3/20 0.45
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 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
SCHEMBL10087254 0.85 KDM4E (0.41) HSD17B10MEN1KMT2APKMALDH1A1
SCHEMBL1610317 0.73 SMN1; SMN2 (0.42) HSD17B10MEN1KMT2APKMPDE10A
SCHEMBL1608908 0.73 ALDH1A1 (0.43) HSD17B10MEN1KMT2APKMPDE10A
SCHEMBL1610198 0.73 ALDH1A1 (0.48) HSD17B10MEN1KMT2APKMPDE10A
SCHEMBL1609730 0.73 ALDH1A1 (0.41) HSD17B10MEN1KMT2APKMALDH1A1
SCHEMBL20119601 0.72 SMN1; SMN2 (0.48) HSD17B10MEN1KMT2APKMALDH1A1
SCHEMBL1610521 0.72 AURKA (0.43) HSD17B10MEN1KMT2APKMPDE10A
SCHEMBL2894152 0.71 KDM4E (0.50) HSD17B10MEN1KMT2AKDM4ELMNA
SCHEMBL1610417 0.71 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1POLBHSP90AA1
SCHEMBL23498533 0.71 ALDH1A1 (0.41) HSD17B10MEN1KMT2APKMPDE10A

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-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO disclosed