SCHEMBL4423918

SCHEMBL4423918

Cc1cc(Nc2cc[c]cc2)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.40
APP P05067 1/20 0.40
CYP17A1 P05093 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AR P10275 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGS2 P35354 1/20 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
SCHEMBL20705367 0.85 ESR2 (0.50) ESR2NPSR1HPGDAPPCYP17A1
SCHEMBL20705368 0.83 ESR2 (0.52) ESR2NPSR1HPGDAPPCYP17A1
SCHEMBL24608924 0.79 SLC1A3 (0.51) ESR2NPSR1HPGDALDH1A1MAPT
SCHEMBL20705366 0.79 ESR2 (0.47) ESR2NPSR1HPGDAPPCYP17A1
SCHEMBL29416259 0.79 HPGD (0.58) NPSR1HPGDAPPALDH1A1MEN1
SCHEMBL4639004 0.79 HPGD (0.58) NPSR1HPGDAPPALDH1A1MEN1
SCHEMBL13308526 0.79 HPGD (0.58) NPSR1HPGDAPPALDH1A1MEN1
SCHEMBL23609407 0.77 SLC1A3 (0.52) ESR2NPSR1HPGDAPPALDH1A1
SCHEMBL15372181 0.77 PLA2G7 (0.43) ESR2NPSR1HPGDAPPCYP17A1
SCHEMBL17735244 0.77 ESR2 (0.49) ESR2CYP17A1ALDH1A1MEN1KMT2A

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
US-20090323747-A1 ORGANIC SOLID-STATE DYE LASER JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-12-31 US disclosed