SCHEMBL8740072

SCHEMBL8740072

O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)ccc(NC3CCCCC3)c21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ MAPT P10636 8/20 0.52
▸ TP53 P04637 3/20 0.52
▸ GAA P10253 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ IDO1 P14902 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ THRB P10828 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 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
SCHEMBL302843 0.91 MAPK1 (0.57) LMNAMAPK1CYP1A2CYP2C19HIF1A
SCHEMBL8777837 0.91 MAPK1 (0.59) LMNAMAPK1CYP1A2CYP2C19HIF1A
SCHEMBL8951836 0.91 LMNA (0.59) LMNAMAPK1CYP1A2CYP2C19HIF1A
SCHEMBL11147656 0.91 LMNA (0.62) LMNAMAPK1CYP1A2CYP2C19HIF1A
SCHEMBL124201 0.89 MAPK1 (0.56) LMNAMAPK1CYP1A2CYP2C19HIF1A
SCHEMBL18984700 0.87 LMNA (0.52) LMNAMAPK1CYP1A2CYP2C19HIF1A
SCHEMBL124713 0.86 MAPK1 (0.53) LMNAMAPK1CYP1A2CYP2C19HIF1A
SCHEMBL11302008 0.85 MAPK1 (0.77) LMNAMAPK1CYP1A2CYP2C19HIF1A
SCHEMBL725855 0.85 MAPK1 (0.53) LMNAMAPK1CYP1A2CYP2C19HIF1A
SCHEMBL6366530 0.84 MAPK1 (0.51) LMNAMAPK1CYP1A2CYP2C19HIF1A

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-5679808-A Tertiary non-linear optical material SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1997-10-21 — — US claimed
US-5679808-A Tertiary non-linear optical material SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1997-10-21 — — US disclosed
EP-0635750-A1 THIRD-ORDER NONLINEAR OPTICAL MATERIAL SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1995-01-25 — — EP disclosed
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