SCHEMBL4787292

SCHEMBL4787292

Cc1ccc(Sc2ccc(S(=O)(=O)N3CCC(O)CC3)c3nonc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
IDO1 P14902 1/20 0.46
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 7/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 1/20 0.37

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
SCHEMBL4788418 0.89 THRB (0.47) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL4787431 0.83 IDO1 (0.47) KMT2AMEN1IDO1TP53TDP1
SCHEMBL4805415 0.80 KMT2A (0.49) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL5243352 0.78 KMT2A (0.43) KMT2AMEN1IDO1TDP1ALDH1A1
SCHEMBL4746102 0.78 ACLY (0.44) KMT2AMEN1TP53ALDH1A1HTT
SCHEMBL4786255 0.78 L3MBTL1 (0.48) KMT2AMEN1TP53ALDH1A1TSHR
SCHEMBL4746866 0.75 HTT (0.48) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL4787833 0.75 AKR1C3 (0.40) KMT2AMEN1IDO1TDP1ALDH1A1
SCHEMBL5244144 0.75 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL5292057 0.73 MEN1 (0.47) KMT2AMEN1TDP1ALDH1A1LMNA

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-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO claimed