SCHEMBL12112007

SCHEMBL12112007

CCCC(Sc1ccc(N)cc1)Sc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ TDP1 Q9NUW8 6/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.35
▸ SERPINH1 P50454 2/20 0.35
▸ GFER P55789 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL12112005 0.88 TSHR (0.38) TSHRMAPK1CYP3A4TDP1ALDH1A1
SCHEMBL12112008 0.85 MAPT (0.38) TSHRMAPK1CYP3A4TDP1ALDH1A1
SCHEMBL12112006 0.83 TSHR (0.44) TSHRMAPK1CYP3A4TDP1ALDH1A1
SCHEMBL24986047 0.82 MAPK1 (0.39) TSHRMAPK1CYP3A4TDP1ALDH1A1
SCHEMBL2687200 0.78 SMN1; SMN2 (0.40) MAPK1ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL14123914 0.76 SMN1; SMN2 (0.39) TSHRMAPK1CYP3A4TDP1ALDH1A1
SCHEMBL10942843 0.73 SERPINH1 (0.33) TSHRMAPK1CYP3A4TDP1ALDH1A1
SCHEMBL11309197 0.72 MAPK1 (0.42) TSHRMAPK1CYP3A4TDP1ALDH1A1
SCHEMBL15744968 0.71 PPARG (0.39) TSHRCYP3A4ALDH1A1MAPTSLC6A3
SCHEMBL6387456 0.71 LMNA (0.46) TSHRCYP3A4ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053041-B2 Overcoat film composition, color filter substrate, and liquid crystal display element JNC CORPORATION (JP) 2011-11-08 — — US disclosed
US-20080167429-A1 Nanoimprinting composition CHISSO CORPORATION 2008-07-10 — — US disclosed
US-20080003381-A1 Overcoat film composition, color filter substrate, and liquid crystal display element CHISSO CORPORATION 2008-01-03 — — US disclosed
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