SCHEMBL9695877

SCHEMBL9695877

CCOC(=O)c1cccc(NN)c1N(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
CDC25B P30305 4/20 0.48
CDC25A P30304 1/20 0.48
CDC25C P30307 1/20 0.48
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 5/20 0.46
LMNA P02545 4/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK10 P53779 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
SCHEMBL3944845 0.82 TSHR (0.69) TSHRCDC25BCDC25ACDC25CHSD17B10
SCHEMBL9695883 0.81 ALDH1A1 (0.64) TSHRCDC25BCDC25ACDC25CHSD17B10
Hydrochloric Acid SCHEMBL9150908 0.81 TSHR (0.67) TSHRCDC25BCDC25ACDC25CHSD17B10
SCHEMBL28061271 0.80 TSHR (0.56) TSHRCDC25BCDC25ACDC25CHSD17B10
Hydrochloric Acid SCHEMBL27734207 0.72 CDC25B (0.50) TSHRCDC25BCDC25ACDC25CHSD17B10
SCHEMBL3454897 0.71 TSHR (0.67) TSHRCDC25BCDC25ACDC25CHSD17B10
SCHEMBL31152339 0.71 TSHR (0.56) TSHRCDC25BCDC25ACDC25CHSD17B10
SCHEMBL28904246 0.71 TSHR (0.56) TSHRCDC25BCDC25ACDC25CHSD17B10
SCHEMBL9576565 0.70 SCN1A (0.63) TSHRALDH1A1KDM4ELMNAKMT2A
SCHEMBL27424975 0.70 TSHR (0.70) TSHRCDC25BCDC25ACDC25CHSD17B10

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-1992002216-A1 ADVANCED GLYCATION INHIBITORS CONTAINING AMINO-BENZOIC ACIDS AND DERIVATIVES, AND METHODS OF USE UNIV ROCKEFELLER (US) 1992-02-20 WO disclosed