SCHEMBL31322178

SCHEMBL31322178

CC(C)(C)c1cccc(Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.47
GRM4 Q14833 1/20 0.47
HDAC8 Q9BY41 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KCNK18 Q7Z418 1/20 0.46
EGFR P00533 1/20 0.44
TNNI3K Q59H18 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
AR P10275 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
STK10 O94804 1/20 0.43
SLK Q9H2G2 1/20 0.43
IDH2 P48735 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42

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
SCHEMBL22225354 1.00 KIF11 (0.50) KIF11ABCG2GRM4HDAC8HDAC3
SCHEMBL21625856 0.94 KIF11 (0.54) KIF11ABCG2GRM4HDAC8HDAC3
SCHEMBL29514710 0.94 KIF11 (0.54) KIF11ABCG2GRM4HDAC8HDAC3
SCHEMBL3398439 0.88 ALDH1A1 (0.60) KIF11ABCG2GRM4HDAC8HDAC3
SCHEMBL30365006 0.86 KIF11 (0.56) KIF11ABCG2GRM4HDAC8HDAC3
SCHEMBL21252630 0.86 KIF11 (0.56) KIF11ABCG2GRM4HDAC8HDAC3
SCHEMBL22356841 0.85 HSD17B10 (0.52) ABCG2AKR1C3AKR1C2MEN1ALDH1A1
SCHEMBL25382323 0.85 FADS1 (0.44) KIF11EGFRAKR1C3AKR1C2MEN1
SCHEMBL22938476 0.85 P2RX1 (0.47) KIF11ABCG2GRM4HDAC8HDAC3
SCHEMBL27013005 0.85 CNR1 (0.54) KIF11ABCG2GRM4HDAC8HDAC3

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-112534593-B Organic light emitting diode 株式会社LG化学 2025-01-10 CN disclosed