SCHEMBL8723948

SCHEMBL8723948

Cc1ccc(N(c2ccc(Br)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 5/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
GUSB P08236 2/20 0.32
THRB P10828 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL460778 0.92 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL9238715 0.89 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL15431178 0.88 CYP1A2 (0.39) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL8927497 0.88 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL13152273 0.88 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL14570744 0.88 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL9429272 0.87 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL4251786 0.86 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2620619 0.86 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29907927 0.86 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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-5808155-A HYDROXY COMPOUND RICOH COMPANY, LTD. (JP) 1998-09-15 US disclosed
US-5663407-A CARBONATE COMPOUND FOR MANUFACTURING DURABLE PHOTOCONDUCTOR RICOH COMPANY, LTD. (JP) 1997-09-02 US disclosed
US-5547792-A CHARGE TRANSFER LAYER RICOH COMPANY, LTD. (JP) 1996-08-20 US disclosed