SCHEMBL18828993

SCHEMBL18828993

O=S(=O)(Nc1n[nH]c2ccc(I)cc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.52
SGK1 O00141 1/20 0.45
ITK Q08881 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAP2K4 P45985 2/20 0.41
AURKA O14965 5/20 0.41
AURKB Q96GD4 3/20 0.41
BRD4 O60885 1/20 0.40
MAP2K7 O14733 1/20 0.40
IL1RN P18510 1/20 0.39
KEAP1 Q14145 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39

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
SCHEMBL590443 0.83 CDC7 (0.52) CDC7SGK1KDM4ENPSR1RXFP1
SCHEMBL18812718 0.82 CDC7 (0.50) CDC7SGK1KDM4EMAP2K4AURKA
SCHEMBL18828996 0.80 MAPT (0.57) CDC7ALDH1A1AURKAAURKB
SCHEMBL29516430 0.76 DYRK1A (0.52) CDC7SGK1KDM4ERXFP1MAPK14
SCHEMBL24287487 0.76 DYRK1A (0.52) CDC7SGK1KDM4ERXFP1MAPK14
SCHEMBL4502136 0.74 GSK3B (0.60) CDC7SGK1KDM4ENPSR1RXFP1
SCHEMBL28155841 0.74 MAPK10 (0.49) CDC7ALDH1A1
SCHEMBL18932045 0.74 MAPK10 (0.52) CDC7ALDH1A1
SCHEMBL18812703 0.73 FLT3 (0.49) CDC7ITKALDH1A1MAP2K4AURKA
SCHEMBL22722926 0.71 DYRK1A (0.46) CDC7MAPK14AURKB

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-3165523-A2 COMPOSITION FOR INDUCING CELL REPROGRAMMING Gwangju Institute of Science and Technology (KR) 2017-05-10 EP disclosed