SCHEMBL17029699

SCHEMBL17029699

CCc1nsc(/N=N/C2=C(O)c3ccccc3C2=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 7/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
MAPT P10636 7/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 4/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 3/20 0.33
MAPK10 P53779 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
PKM P14618 2/20 0.33
DHODH Q02127 2/20 0.33
MCL1 Q07820 2/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL12795337 0.83 MAPK1 (0.36) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL12795355 0.80 TSHR (0.39) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL12034185 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL12033916 0.68 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL12034125 0.66 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL16601906 0.65 APAF1 (0.39) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL12034181 0.65 TDP2 (0.41) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL12034289 0.63 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL12034288 0.63 CNR1 (0.38) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL13661851 0.61 MAPK1 (0.33) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT

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
EP-2160179-B1 HAIR DYE COMPOSITION KAO CORP (JP) 2015-08-26 EP disclosed