SCHEMBL16437555

SCHEMBL16437555

c1ccc2c(c1)Cc1c-2ccc2c1-c1ccc3sc4ccccc4c3c1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K9 P80192 4/20 0.44
MAP3K11 Q16584 4/20 0.44
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
DUSP3 P51452 1/20 0.35
BLM P54132 1/20 0.35
PTPN5 P54829 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN11 Q06124 1/20 0.35
MCL1 Q07820 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PGR P06401 1/20 0.35
GPR3 P46089 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
PNMT P11086 1/20 0.34

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
SCHEMBL16437551 0.92 MAP3K9 (0.44) MAP3K9MAP3K11MAPTMEN1POLB
SCHEMBL17953564 0.92 MAP3K9 (0.46) MAP3K9MAP3K11MAPTMEN1POLB
SCHEMBL17431184 0.86 MAP3K9 (0.45) MAP3K9MAP3K11MAPTMEN1POLB
SCHEMBL16437558 0.81 PNMT (0.44) MAP3K9MAP3K11MAPTPGRCA1
SCHEMBL17954609 0.80 MAP3K9 (0.46) MAP3K9MAP3K11MAPTMEN1POLB
SCHEMBL29177781 0.80 MAP3K9 (0.46) MAP3K9MAP3K11MAPTMEN1POLB
SCHEMBL16437552 0.74 NQO1 (0.36) MAP3K9MAP3K11MAPTMEN1KMT2A
SCHEMBL17431177 0.73 MAP3K9 (0.39) MAP3K9MAP3K11MAPTPOLBTDP1
SCHEMBL17431175 0.73 MAP3K9 (0.39) MAP3K9MAP3K11MAPTPOLBTDP1
SCHEMBL20402085 0.73 MAP3K9 (0.45) MAP3K9MAP3K11MAPTMEN1KMT2A

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-9755157-B2 Organic compound and organic optoelectric device and display device CHEIL INDUSTRIES, INC. (KR) 2017-09-05 US disclosed
US-20150034914-A1 ORGANIC COMPOUND AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE CHEIL INDUSTRIES, INC. (KR) 2015-02-05 US disclosed