SCHEMBL13512817

SCHEMBL13512817

C=CC(=O)OCCCCOC(=O)c1ccc(OC(=O)c2ccc(Nc3nc(Nc4ccc(OC(=O)c5ccc(OCCCCOC(=O)C=C)cc5)cc4)nc(Nc4ccc(OC(=O)c5ccc(OCCCCOC(=O)C=C)cc5)cc4)n3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ THRB P10828 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 2/20 0.40

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
SCHEMBL10078031 0.98 LMNA (0.44) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL12370893 0.94 MAPT (0.46) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL14539284 0.93 LMNA (0.40) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL13512820 0.93 MAPT (0.45) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL12370896 0.93 SMN1; SMN2 (0.44) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL19600614 0.88 THRB (0.52) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL26383140 0.88 THRB (0.52) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL10078010 0.88 THRB (0.52) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL14346659 0.88 THRB (0.52) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL8365968 0.86 ALDH1A1 (0.51) KMT2AMAPTMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645496-B2 1,3,5-triazine compound, composition, and optically anisotropic material composed of the same FUJIFILM CORPORATION (JP) 2010-01-12 — — US disclosed
US-7645496-B2 1,3,5-triazine compound, composition, and optically anisotropic material composed of the same FUJIFILM CORPORATION (JP) 2010-01-12 — — US disclosed
US-20070298192-A1 1,3,5-Triazine compound, composition, and optically anisotropic material composed of the same FUJIFILM CORPORATION (JP) 2007-12-27 — — US disclosed
US-20070298192-A1 1,3,5-Triazine compound, composition, and optically anisotropic material composed of the same FUJIFILM CORPORATION (JP) 2007-12-27 — — US disclosed
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