SCHEMBL9689482

SCHEMBL9689482

CC(C)c1ccc2csc(-c3nnnn3C(C)C(=O)O)c2c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 3/20 0.33
EIF4A3 P38919 1/20 0.32
EGLN1 Q9GZT9 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
MAP3K5 Q99683 2/20 0.31
PFKFB3 Q16875 2/20 0.31
PRNP P04156 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9689971 0.89 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2MAP3K5PRNP
SCHEMBL9689940 0.85 TDP1 (0.40) ALDH1A1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL9688895 0.84 KDM4E (0.43) ALDH1A1KDM4EMAP3K5PRNPHPGD
SCHEMBL9690657 0.81 NPSR1 (0.38) MAPT
SCHEMBL9690031 0.78 TDP1 (0.40) ALDH1A1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL9689487 0.76 HDAC6 (0.43) ALDH1A1KDM4EEIF4A3SMN1; SMN2MAP3K5
SCHEMBL9689975 0.72 GPR139 (0.37) ALDH1A1KDM4ESMN1; SMN2GAAMAP3K5
SCHEMBL9688515 0.71 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL9469004 0.70 TDP1 (0.42) ALDH1A1KDM4EGAAKMT2AMAPT
SCHEMBL9689439 0.69 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2MAP3K5PRNP

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-0506011-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-30 EP disclosed