SCHEMBL14094935

SCHEMBL14094935

O=C1c2c(O)ccc([N+](=O)O)c2C(=O)c2c(O)ccc(Nc3ccccc3)c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ TP53 P04637 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPT P10636 4/20 0.48
▸ TDP1 Q9NUW8 4/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ POLB P06746 2/20 0.48

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
SCHEMBL14094934 1.00 CYP3A4 (0.55) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL5488348 0.89 CYP3A4 (0.68) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL29856171 0.89 CYP3A4 (0.68) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11367014 0.89 CYP3A4 (0.68) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11796394 0.89 CYP3A4 (0.68) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11037999 0.89 CYP3A4 (0.68) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11601179 0.87 MEN1 (0.58) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11786449 0.87 MEN1 (0.58) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL11602835 0.87 MEN1 (0.58) CYP3A4TSHRHIF1ACYP1A2CYP2D6
SCHEMBL8088894 0.87 MEN1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7416591-B2 Disperse dye mixtures DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-08-26 — — US disclosed
US-20080022894-A1 Benzo[1,2-b;4,5-b']difuran-2,6-dione derivatives; anthraquinone and monoazo dyes; black shade; synthetic textile material or fiber blend thereof is a polyester, polyester-cellulose, polyester-nylon, polyesterurethane or polyester-wool blend; ink jet printing DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-01-31 — — US disclosed
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