SCHEMBL9921575

SCHEMBL9921575

CC(C)(C)c1ccc2c3ccccc3c3nsnc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.45
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
CHUK O15111 1/20 0.36
PDPK1 O15530 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
CHEK2 O96017 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
PRKCG P05129 1/20 0.36
INSR P06213 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL15298694 0.87 KIF11 (0.39) KIF11PGRRORARORCRORB
SCHEMBL15298690 0.82 KIF11 (0.41) KIF11CDK2ALDH1A1ABCG2
SCHEMBL15298676 0.81 KIF11 (0.35) KIF11PLK4CHEK1AURKACHUK
SCHEMBL15298691 0.81 CCR4 (0.35) KIF11ALDH1A1MEN1KMT2APOLB
SCHEMBL15298675 0.79 RXRB (0.40) KIF11PDPK1GAAABCG2TNKS
SCHEMBL15298688 0.79 ALDH1A1 (0.35) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL28384010 0.79 KIF11 (0.59) KIF11PGRRORARORCRORB
SCHEMBL15298678 0.77 ALDH1A1 (0.34) KIF11ALDH1A1
SCHEMBL9921573 0.77 MAPT (0.39) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL15298689 0.76 KIF11 (0.30) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130256647-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME CANON KABUSHIKI KAISHA (JP) 2013-10-03 US disclosed
US-20130256647-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME CANON KABUSHIKI KAISHA (JP) 2013-10-03 US disclosed
WO-2012077478-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME CANON KABUSHIKI KAISHA (JP) 2012-06-14 WO disclosed