SCHEMBL13620440

SCHEMBL13620440

Cc1c(C(=O)O)sc2nc(CC3CC=CS3)[nH]c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
KMT2A Q03164 11/20 0.52
MEN1 O00255 8/20 0.52
MAPT P10636 7/20 0.52
TDP1 Q9NUW8 7/20 0.52
L3MBTL1 Q9Y468 6/20 0.52
POLB P06746 7/20 0.51
USP2 O75604 1/20 0.51
THRB P10828 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
KDM4E B2RXH2 2/20 0.49
MCL1 Q07820 2/20 0.48
HPGD P15428 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
TSHR P16473 1/20 0.47
PLEC Q15149 1/20 0.45
BCAT2 O15382 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL13620529 0.88 KMT2A (0.45) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL3493848 0.80 KMT2A (0.55) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL13620530 0.80 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL3494013 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL13341339 0.78 ALDH1A1 (0.75) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL3494278 0.76 MAPT (0.58) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL3492677 0.76 MAPT (0.61) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL4519702 0.75 KMT2A (0.61) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL3494338 0.75 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL3490694 0.75 MAPT (0.65) ALDH1A1KMT2AMEN1MAPTTDP1

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-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed