SCHEMBL9689975

SCHEMBL9689975

COc1cccc2c(-c3nnnn3C(C)C(=O)O)scc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 6/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD11B1 P28845 1/20 0.35
MAPT P10636 2/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 2/20 0.34
PRNP P04156 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAP3K5 Q99683 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9688895 0.81 KDM4E (0.43) GPR139KDM4EKMT2AALDH1A1HPGD
SCHEMBL9689963 0.77 HDAC3 (0.43) KDM4EHSD11B1MAPTALDH1A1HPGD
SCHEMBL9690031 0.77 TDP1 (0.40) GPR139KDM4EMAPTALDH1A1HPGD
SCHEMBL9689940 0.77 TDP1 (0.40) GPR139KDM4EALDH1A1HPGDTDP1
SCHEMBL9689439 0.76 KDM4E (0.45) GPR139KDM4EMAPTKMT2AALDH1A1
SCHEMBL9688515 0.74 ALDH1A1 (0.38) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL9689971 0.74 ALDH1A1 (0.35) GPR139KDM4EMAPTKMT2AALDH1A1
SCHEMBL9688569 0.74 KDM4E (0.43) GPR139KDM4EMAPTKMT2AALDH1A1
SCHEMBL9689482 0.72 ALDH1A1 (0.34) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL9689433 0.71 ALDH1A1 (0.49) KDM4EHSD11B1MAPTKMT2AALDH1A1

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