SCHEMBL27657670

SCHEMBL27657670

Brc1ccc2c(c1)-c1cccc3cccc-2c13.Brc1ccc2c3c(cccc13)-c1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CASP1 P29466 3/20 0.48
HPGD P15428 2/20 0.48
HIF1A Q16665 2/20 0.48
CASP7 P55210 2/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
PTPRC P08575 1/20 0.47
HKDC1 Q2TB90 1/20 0.46
CYP1B1 Q16678 9/20 0.41
CYP3A4 P08684 1/20 0.41
PABPC1 P11940 1/20 0.41
DNMT1 P26358 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
Fluoranthene SCHEMBL27657669 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL2261886 0.92 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL29485718 0.92 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL5011063 0.86 ALDH1A1 (0.58) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL29709293 0.86 ALDH1A1 (0.58) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL30990840 0.84 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL2198488 0.84 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL21368368 0.83 MAPK1 (0.50) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL30345509 0.82 CYP1A2 (0.63) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL663504 0.82 CYP1A2 (0.63) CYP1A2ALDH1A1TSHRMAPK1HSD17B10

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-1827733-A Organic electroluminescent device IDEMITSU KOSAN CO (JP) 2006-09-06 CN disclosed