SCHEMBL4006977

SCHEMBL4006977

[c]1cc2c(-c3cccc4ccccc34)c(-c3cc4ccccc4c4ccccc34)c(-c3cc4ccccc4c4ccccc34)cc2c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR84 Q9NQS5 1/20 0.33
CYP1B1 Q16678 1/20 0.32
SOS1 Q07889 1/20 0.32
DHFR P00374 1/20 0.31
HPRT1 P00492 3/20 0.30
TYMP P19971 1/20 0.30
CYP11B1 P15538 1/20 0.30
CES1 P23141 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALPL P05186 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4008333 0.87 CYP1A2 (0.41) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL4014649 0.85 CYP11B1 (0.36) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL4002507 0.82 GPR84 (0.36) ALDH1A1HIF1AHSD17B10GPR84CYP1B1
SCHEMBL32689890 0.81 ALDH1A1 (0.48) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL4002442 0.77 DNMT1 (0.37) ALDH1A1HIF1AHPGDMAPK1GPR84
SCHEMBL25404735 0.74 HPRT1 (0.50) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL30022358 0.74 HPRT1 (0.50) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL30021862 0.74 HPRT1 (0.50) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL29663473 0.73 GPR84 (0.53) ALDH1A1HIF1AHSD17B10HPGDTSHR
SCHEMBL30394243 0.72 ALDH1A1 (0.50) ALDH1A1HIF1AHSD17B10HPGDTSHR

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
WO-2009082157-A2 ARYL AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DOOSAN CORPORATION (KR) 2009-07-02 WO disclosed