SCHEMBL80236

SCHEMBL80236

CC1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2nc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
ACACA Q13085 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 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
SCHEMBL81022 0.93 PDK2 (0.36) CYP11B1ALDH1A1HPGDTSHRMAPK1
SCHEMBL10036758 0.91 CYP11B1 (0.38) CYP11B1ALDH1A1HPGDTSHRMAPK1
SCHEMBL10036757 0.91 PDK2 (0.39) ACACAALDH1A1HPGDCASP1HSD17B10
SCHEMBL81926 0.86 CYP11B1 (0.38) CYP11B1ALDH1A1HPGDTSHRMAPK1
SCHEMBL81159 0.82 PDK2 (0.39)
SCHEMBL81053 0.82 PDK2 (0.39)
SCHEMBL81461 0.82 PDK2 (0.39)
SCHEMBL10036759 0.80 KMT2A (0.34) ALDH1A1HPGDMAPK1HSD17B10KDM4E
SCHEMBL80224 0.79 ALDH1A1 (0.36) CYP11B1ALDH1A1HPGDTSHRMAPK1
SCHEMBL81689 0.79 RARA (0.33) ALDH1A1HPGDMAPK1HSD17B10KDM4E

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-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed