SCHEMBL11748643

SCHEMBL11748643

c1cc2ccc3ccc(-c4nc(-c5ccc6ccc7cccc8ccc5c6c78)nc(-c5ccc6ccc7cccc8ccc5c6c78)n4)c4ccc(c1)c2c34

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
HPGD P15428 5/20 0.50
HSD17B10 Q99714 5/20 0.50
CYP1A2 P05177 4/20 0.50
TSHR P16473 4/20 0.50
CYP3A4 P08684 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ERBB2 P04626 1/20 0.47
FYN P06241 1/20 0.47
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.47
AHR P35869 1/20 0.47
THRB P10828 1/20 0.46
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL13851811 0.90 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL17427694 0.90 CYP1A2 (0.48) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL15256442 0.90 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL12200428 0.89 CYP1A2 (0.43) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL17995337 0.87 CYP1A2 (0.42) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL2054216 0.86 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL30495899 0.86 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL12230305 0.86 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL12191846 0.86 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL12200457 0.86 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP1A2TSHR

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-7504161-B2 Luminescent element FUJIFILM CORPORATION (JP) 2009-03-17 US disclosed
US-4016099-A DROWNING A DISPERSION TO EFFECT PHASE-SEPARATION XEROX CORPORATION (US) 1977-04-05 US disclosed