SCHEMBL12412510

SCHEMBL12412510

O=C(O)CCC(=O)Nc1ccc(C(=O)Nc2ccc3c(O)cccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HSD17B1 P14061 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HSD17B2 P37059 1/20 0.52
▸ CYP1A1 P04798 1/20 0.49
▸ PYGL P06737 1/20 0.48
▸ POLB P06746 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HPSE Q9Y251 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ FGF1 P05230 1/20 0.44

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
SCHEMBL30726817 0.83 KCNK3 (0.60) SMN1; SMN2PYGLMEN1MAPTKMT2A
SCHEMBL29674908 0.83 KCNK3 (0.60) SMN1; SMN2PYGLMEN1MAPTKMT2A
SCHEMBL12500488 0.82 CASP6 (0.69) CYP1A2SMN1; SMN2CYP1A1POLBLMNA
SCHEMBL30726814 0.80 CASP6 (0.65) HSD17B1HSD17B2PYGLPOLBLMNA
SCHEMBL18403326 0.78 PYGL (0.49) CYP1A2SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL1044088 0.75 CYP1A2 (0.62) CYP1A2SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL13990189 0.73 CYP1A2 (1.00) CYP1A2SMN1; SMN2CYP2C19CYP1A1POLB
SCHEMBL27404415 0.73 HSD17B1 (0.49) CYP1A2SMN1; SMN2HSD17B1CYP2C19HSD17B2
SCHEMBL11957585 0.70 NPSR1 (0.69) CYP1A2SMN1; SMN2CYP1A1POLBNPSR1
SCHEMBL1122275 0.70 HSD17B1 (0.76) CYP1A2SMN1; SMN2HSD17B1HSD17B2PYGL

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-8477268-B2 Azo compound and salts thereof, as well as dye-based polarization films and polarizing plates comprising the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-07-02 — — US disclosed
US-20110164208-A1 Azo Compound And Salts Thereof, As Well As Dye-Based Polarization Films And Polarizing Plates Comprising The Same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-07 — — US disclosed
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