SCHEMBL10090544

SCHEMBL10090544

Cc1c(-c2cccc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2C)cccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
BTK Q06187 6/20 0.38
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
JAK2 O60674 2/20 0.34
NR1H3 Q13133 1/20 0.34
PPARG P37231 3/20 0.34
DNMT1 P26358 3/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL24848799 0.88 PDCD1 (0.36) KIF11BTKALDH1A1NPC1PLA2G1B
SCHEMBL10029973 0.87 KIF11 (0.38) KIF11BTKALDH1A1NPC1PLA2G1B
SCHEMBL31549508 0.83 ALDH1A1 (0.46) BTKALDH1A1L3MBTL1
SCHEMBL24849188 0.83 ALDH1A1 (0.35) KIF11BTKALDH1A1NPC1PLA2G1B
SCHEMBL19766159 0.83 ALDH1A1 (0.46) BTKALDH1A1L3MBTL1
SCHEMBL25501029 0.83 KIF11 (0.41) KIF11ALDH1A1PPARGPGRRORA
SCHEMBL24848727 0.81 KIF11 (0.34) KIF11ALDH1A1
SCHEMBL25449251 0.81 KIF11 (0.42) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL25700065 0.81 KIF11 (0.35) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL24849190 0.81 DNMT1 (0.40) KIF11BTKALDH1A1NPC1PLA2G1B

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
US-20120161617-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-28 US disclosed
US-20120161617-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-28 US disclosed