SCHEMBL7168804

SCHEMBL7168804

c1ccc(Nc2ccc3c(c2)Cc2cc(Nc4ccccc4)ccc2-3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 3/20 0.54
SLC6A2 P23975 2/20 0.54
HTR2B P41595 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
PTGS1 P23219 1/20 0.54
MAPK1 P28482 1/20 0.54
PTGS2 P35354 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
AR P10275 1/20 0.54
MAPK14 Q16539 3/20 0.53
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 2/20 0.51
HPGD P15428 2/20 0.50

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
SCHEMBL2165580 0.94 CYP1A2 (0.60) HSD17B10ALDH1A1TSHRSLC6A2HTR2B
SCHEMBL23252899 0.90 CYP1A2 (0.47) HSD17B10ALDH1A1TSHRSLC6A2HTR2B
SCHEMBL1921953 0.90 CYP1A2 (0.64) HSD17B10ALDH1A1TSHRSLC6A2HTR2B
SCHEMBL2168131 0.88 CYP1A2 (0.66) HSD17B10ALDH1A1TSHRSLC6A2HTR2B
SCHEMBL26322229 0.86 HSD17B10 (0.54) HSD17B10ALDH1A1TSHRSLC6A2HTR2B
SCHEMBL15906933 0.86 CYP1A2 (0.55) HSD17B10ALDH1A1TSHRSLC6A2HTR2B
SCHEMBL1921940 0.85 CYP1A2 (0.58) HSD17B10ALDH1A1TSHRSLC6A2HTR2B
SCHEMBL17776254 0.84 CYP3A4 (0.47) HSD17B10ALDH1A1TSHRSLC6A2HTR2B
SCHEMBL25458414 0.82 CNR1 (0.53) HSD17B10ALDH1A1TSHRSLC6A2HTR2B
SCHEMBL13174486 0.82 APP (0.51) HSD17B10ALDH1A1SLC6A2HTR2BL3MBTL1

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
EP-1353972-A2 NITROCELLULOSE-COMPATIBLE LAMINATING INK RESINS ARIZONA CHEMICAL COMPANY (US) 2003-10-22 EP disclosed
WO-2001090221-A2 NITROCELLULOSE-COMPATIBLE LAMINATING INK RESINS ARIZONA CHEMICAL COMPANY (US) 2001-11-29 WO disclosed