SCHEMBL20650482

SCHEMBL20650482

CC(C)(C)c1ccccc1N(I)c1cccc2c1oc1c(C(C)(C)C)cccc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRKDC P78527 1/20 0.30

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
SCHEMBL20650124 0.92 KIF11 (0.31) KIF11MEN1CYP2C19KMT2A
SCHEMBL20650472 0.92 KIF11 (0.31) KIF11MEN1CYP2C19KMT2A
SCHEMBL23967729 0.90 GABRA1 (0.36) KIF11MEN1CYP2C19KMT2A
SCHEMBL20650418 0.90 GABRA1 (0.36) KIF11
SCHEMBL20650741 0.88 MEN1 (0.42) KIF11MEN1CYP2C19KMT2ACA2
SCHEMBL20650462 0.88 KIF11 (0.33) KIF11MEN1CYP2C19KMT2ACA2
SCHEMBL20650382 0.86 SIGMAR1 (0.30) KIF11
SCHEMBL20649836 0.86 ALOX5 (0.33) KIF11
SCHEMBL20650483 0.86 SIGMAR1 (0.30) KIF11
SCHEMBL20650481 0.86 ALOX5 (0.30) KIF11KMT2AALDH1A1

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
EP-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed