SCHEMBL5482186

SCHEMBL5482186

CC(C)c1ccc(Nc2ccc(O)c3c2C(=O)c2c(O)ccc([N+](=O)[O-])c2C3=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.68
▸ TSHR P16473 2/20 0.68
▸ HIF1A Q16665 2/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ TP53 P04637 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MAPT P10636 6/20 0.52
▸ POLB P06746 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ CSNK2A2 P19784 1/20 0.49
▸ CSNK2B P67870 1/20 0.49
▸ CSNK2A1 P68400 1/20 0.49
▸ CSNK2A3 Q8NEV1 1/20 0.49
▸ EPAS1 Q99814 1/20 0.45

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
SCHEMBL11810647 0.92 CYP3A4 (0.67) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL848233 0.86 CYP3A4 (0.69) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL10400673 0.86 CYP3A4 (0.72) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11117743 0.86 CYP3A4 (0.72) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL1993642 0.86 CYP3A4 (0.72) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL5488348 0.83 CYP3A4 (0.68) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11037999 0.83 CYP3A4 (0.68) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL29856171 0.83 CYP3A4 (0.68) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11796394 0.83 CYP3A4 (0.68) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11367014 0.83 CYP3A4 (0.68) CYP3A4TSHRHIF1ACYP1A2CYP2D6

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-7220465-B2 Liquid crystal composition, anthraquinone compound and liquid crystal device employing the composition FUJIFILM CORPORATION (JP) 2007-05-22 — — US disclosed
US-7220465-B2 Liquid crystal composition, anthraquinone compound and liquid crystal device employing the composition FUJIFILM CORPORATION (JP) 2007-05-22 — — US disclosed
US-7220465-B2 Liquid crystal composition, anthraquinone compound and liquid crystal device employing the composition FUJIFILM CORPORATION (JP) 2007-05-22 — — US disclosed
US-20050173673-A1 Liquid crystal composition, anthraquinone compound and liquid crystal device employing the composition FUJI PHOTO FILM CO., LTD. (JP) 2005-08-11 — — US disclosed
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