SCHEMBL4368385

SCHEMBL4368385

NC(=O)c1c(O)cccc1-c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TMIGD3 P0DMS9 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
AR P10275 1/20 0.44
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
KEAP1 Q14145 1/20 0.40
HTR2B P41595 1/20 0.40
LTK P29376 1/20 0.40
CDK5 Q00535 1/20 0.40
MST1R Q04912 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL9033036 0.85 CA12 (0.53) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL27484628 0.83 ALDH1A1 (0.58) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL28309327 0.78 MAPT (0.51) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL1062980 0.74 MAPT (0.56) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL3559657 0.74 ALDH1A1 (0.54) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL18177337 0.73 MAPT (1.00) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL1668962 0.73 CA2 (0.59) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL2417969 0.72 ALDH1A1 (0.49) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL6067827 0.72 RPS6KB2 (0.47) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL27684614 0.72 TMIGD3 (0.46) MAPTALDH1A1KDM4EHPGDTMIGD3

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
US-20090288962-A1 Electrochemical Sensor and Methods for Making and Using Same BATTELLE MEMORIAL INSTITUTE (US) 2009-11-26 US disclosed