SCHEMBL28290263

SCHEMBL28290263

CS(=O)(=O)c1cncnc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 3/20 0.42
CLK4 Q9HAZ1 2/20 0.42
TSHR P16473 1/20 0.42
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
CYP2D6 P10635 1/20 0.40
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP46A1 Q9Y6A2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL27474907 0.83 CYP1A2 (0.45) CYP1A2CYP3A4PTGS2PTGS1ALDH1A1
SCHEMBL5700053 0.75 PTGS2 (0.59) L3MBTL1LMNANPSR1PTGS2PTGS1
SCHEMBL9164957 0.75 LMNA (0.72) L3MBTL1LMNANPSR1CYP1A2CYP3A4
SCHEMBL28026385 0.73 NPSR1 (0.49) L3MBTL1LMNANPSR1PTGS2PTGS1
SCHEMBL19066249 0.73 LMNA (0.52) L3MBTL1LMNANPSR1POLB
SCHEMBL9028766 0.72 ATM (0.46) CYP1A2CYP3A4CLK4TSHRALDH1A1
SCHEMBL14803582 0.71 ATM (0.42) LMNACYP1A2CYP3A4CLK4TSHR
SCHEMBL5700446 0.70 PTGS2 (0.51) L3MBTL1LMNAPTGS2PTGS1POLB
SCHEMBL8148245 0.70 CYP17A1 (0.37) L3MBTL1LMNACYP1A2CYP3A4ALDH1A1
SCHEMBL5215089 0.70 MAPK9 (0.56) CYP1A2CYP3A4CLK4TSHRALDH1A1

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
CN-109689659-A Imidazo oxazole derivatives with antitumous effect and the pharmaceutical composition including it 韩国科学技术研究院 2019-04-26 CN disclosed