SCHEMBL12112005

SCHEMBL12112005

CCCCC(Sc1ccc(N)cc1)Sc1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ PPARG P37231 5/20 0.36
▸ PPARA Q07869 5/20 0.36
▸ ALOX5 P09917 4/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PTGES O14684 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ MAOA P21397 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
SCHEMBL12112008 0.93 MAPT (0.38) TSHRMAPK1CYP3A4MAPTALDH1A1
SCHEMBL12112007 0.88 TSHR (0.41) TSHRMAPK1CYP3A4MAPTALDH1A1
SCHEMBL12112006 0.79 TSHR (0.44) TSHRMAPK1CYP3A4MAPTALDH1A1
SCHEMBL24986047 0.74 MAPK1 (0.39) TSHRMAPK1CYP3A4MAPTALDH1A1
SCHEMBL7241349 0.74 LMNA (0.43) PPARGPPARAALOX5ALDH1A1NPSR1
SCHEMBL14123914 0.73 SMN1; SMN2 (0.39) TSHRMAPK1CYP3A4MAPTALDH1A1
SCHEMBL8101640 0.69 CYP19A1 (0.47) TSHRMAPK1CYP3A4MAPTALDH1A1
SCHEMBL422539 0.69 MAOA (0.58) TSHRMAPK1CYP3A4MAPTALDH1A1
SCHEMBL12112001 0.69 CYP19A1 (0.47) TSHRMAPK1CYP3A4MAPTALDH1A1
SCHEMBL11309197 0.69 MAPK1 (0.42) TSHRMAPK1CYP3A4MAPTALDH1A1

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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