SCHEMBL14050665

SCHEMBL14050665

Cc1ccc([S@+]([O-])Nc2nc3ccccc3nc2Nc2ccccc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ RUNX1 Q01196 1/20 0.45
▸ CBFB Q13951 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TNKS O95271 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SLC2A1 P11166 3/20 0.38

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
SCHEMBL15256271 0.87 MAPT (0.40) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL23555179 0.78 MAPT (0.39) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL14306590 0.77 MMP2 (0.44) KDM4E
SCHEMBL1792162 0.74 MAPT (0.64) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL12292981 0.73 MAPT (0.39) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL24069000 0.72 MAPT (0.54) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL10198785 0.70 HTT (0.36) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL12292197 0.70 RHOA (0.56) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL23876430 0.69 LMNA (0.58) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL24287510 0.68 ALDH1A1 (0.39) KDM4EALDH1A1LMNAHSD17B10RAB9A

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-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 — — WO disclosed
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