SCHEMBL13707355

SCHEMBL13707355

c1ccc2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7cccc8ccccc78)s6)s5)s4)s3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
PRKDC P78527 1/20 0.46
HTR6 P50406 1/20 0.43
APP P05067 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP2A6 P11509 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.40
PTPN1 P18031 1/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL11523983 0.90 CA12 (0.51) CA12CA1CA2CA9PRKDC
SCHEMBL12744137 0.89 ALDH1A1 (0.43) CA12CA1CA2CA9PRKDC
SCHEMBL9559476 0.87 DPP4 (0.45) CA12CA1CA2CA9PRKDC
SCHEMBL9612448 0.84 CYP1B1 (0.47) CA12CA1CA2CA9PRKDC
SCHEMBL12744135 0.84 ALDH1A1 (0.45) CA12CA1CA2CA9PRKDC
SCHEMBL23212772 0.83 MAPT (0.53) CA12CA1CA2CA9PRKDC
SCHEMBL12914307 0.83 CA12 (0.50) CA12CA1CA2CA9PRKDC
SCHEMBL29581544 0.83 MAPT (0.53) CA12CA1CA2CA9PRKDC
SCHEMBL14190047 0.83 CA12 (0.50) CA12CA1CA2CA9PRKDC
SCHEMBL12293704 0.83 CA12 (0.50) CA12CA1CA2CA9PRKDC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090218933-A1 ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD (JP) 2009-09-03 US disclosed
US-20090218933-A1 ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD (JP) 2009-09-03 US disclosed
US-20080100213-A1 LUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-05-01 US disclosed
US-20080100213-A1 LUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2008-05-01 US disclosed