SCHEMBL28809018

SCHEMBL28809018

Cc1noc(-c2ccc(NS(=O)(=O)C3CC3)cc2)c1OC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 2/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
PRMT6 Q96LA8 1/20 0.36
CYP17A1 P05093 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK2 O60674 1/20 0.36
HDAC4 P56524 1/20 0.35
MAP2K4 P45985 1/20 0.35
BRD4 O60885 3/20 0.35
KIT P10721 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34

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
SCHEMBL27931687 0.90 SMN1; SMN2 (0.36) SGK1SMN1; SMN2MAPTPRMT6JAK1
SCHEMBL12465706 0.85 MAPT (0.39) MAPTKITALDH1A1TSHRHPGD
SCHEMBL27947959 0.83 HPGD (0.43) SMN1; SMN2MAPTTYK2JAK2BRD4
SCHEMBL27947802 0.82 MLKL (0.40) MAPTBRD4ALDH1A1TSHRHPGD
SCHEMBL28947302 0.81 POLB (0.46) JAK1BRD4ALDH1A1HPGDHTT
SCHEMBL27931674 0.80 EDNRB (0.46) MAPTALDH1A1TSHRHPGD
SCHEMBL28947485 0.79 PPARA (0.42) MAPTCYP17A1HDAC4ALDH1A1TSHR
SCHEMBL12465700 0.79 MAPT (0.48) SGK1IDO1TDO2MAPTJAK1
SCHEMBL27947805 0.78 HTT (0.45) SMN1; SMN2MAPTBRD4ALDH1A1TSHR
SCHEMBL28809589 0.76 KEAP1 (0.47) MAPTCYP17A1MAP2K4ALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103443098-A Compound as antagonist of lysophosphatidic acid receptor, composition, and use thereof CUREGENIX INC 2013-12-11 CN claimed
CN-103443098-A Compound as antagonist of lysophosphatidic acid receptor, composition, and use thereof CUREGENIX INC 2013-12-11 CN disclosed