SCHEMBL21763048

SCHEMBL21763048

CC1(C)c2ccccc2-c2ccc3c4ccccc4n(I)c3c21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.34
FTO Q9C0B1 1/20 0.34
HSP90AA1 P07900 1/20 0.34
IDO1 P14902 1/20 0.34
DUSP3 P51452 1/20 0.34
GPR3 P46089 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL2609835 0.84 ALKBH5 (0.49) ALKBH5FTOHSP90AA1IDO1DUSP3
SCHEMBL24403669 0.83 ALKBH5 (0.34) ALKBH5FTOHSP90AA1IDO1DUSP3
SCHEMBL18589649 0.82 DUSP3 (0.39) ALKBH5FTOHSP90AA1IDO1DUSP3
SCHEMBL18589648 0.81 DUSP3 (0.38) ALKBH5FTOHSP90AA1IDO1DUSP3
SCHEMBL19735296 0.81 HSP90AA1 (0.33) ALKBH5FTOHSP90AA1IDO1DUSP3
SCHEMBL17245709 0.81 KDM4E (0.41) ALKBH5FTOHSP90AA1IDO1DUSP3
SCHEMBL10014056 0.81 KDM4E (0.45) ALKBH5FTOHSP90AA1IDO1DUSP3
SCHEMBL24471670 0.80 HSP90AA1 (0.34) ALKBH5FTOHSP90AA1IDO1DUSP3
SCHEMBL15434266 0.79 KDM4E (0.42) ALKBH5FTOHSP90AA1IDO1DUSP3
SCHEMBL17245641 0.79 MEN1 (0.40) ALKBH5FTOHSP90AA1IDO1DUSP3

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-3369719-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-26 EP disclosed