SCHEMBL3921598

SCHEMBL3921598

CCCCc1ccc(C(N)(N)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.52
▸ CA2 P00918 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TNNC1 P63316 5/20 0.50
▸ S1PR1 P21453 3/20 0.50
▸ S1PR3 Q99500 2/20 0.50
▸ CA1 P00915 1/20 0.50
▸ SGPL1 O95470 1/20 0.50
▸ S1PR4 O95977 1/20 0.50
▸ GPR183 P32249 1/20 0.50
▸ CERS2 Q96G23 1/20 0.50
▸ S1PR5 Q9H228 1/20 0.50
▸ PLK1 P53350 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SKP2 Q13309 1/20 0.47
▸ ESR1 P03372 2/20 0.47
▸ ADRA2A P08913 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47

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
SCHEMBL83869 0.83 CA2 (0.65) HTR2ACA2SMN1; SMN2CA1PLK1
SCHEMBL547838 0.82 KCNH2 (0.60) HTR2ACA2SMN1; SMN2CA1PLK1
SCHEMBL20956952 0.82 CA2 (0.50) HTR2ACA2SMN1; SMN2CA1PLK1
SCHEMBL28088652 0.81 CA2 (0.46) HTR2ACA2SMN1; SMN2CA1PLK1
SCHEMBL3910376 0.80 TAAR1 (0.57) HTR2ACA2SMN1; SMN2CA1PLK1
SCHEMBL31589091 0.80 CA2 (0.53) HTR2ACA2SMN1; SMN2CA1PLK1
SCHEMBL8089720 0.80 CA2 (0.48) HTR2ACA2SMN1; SMN2CA1PLK1
SCHEMBL10568421 0.80 ALDH1A1 (0.65) HTR2ACA2SMN1; SMN2CA1PLK1
Ammonia Solution, Strong SCHEMBL28990998 0.80 CA2 (0.62) HTR2ACA2SMN1; SMN2CA1PLK1
SCHEMBL9839955 0.80 CA2 (0.62) HTR2ACA2SMN1; SMN2CA1PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105013-A1 ULTRAVIOLET LIGHT RESISTANT POLYMER COMPOSITIONS AND METHODS OF MAKING AND USING SLAGEL EDWIN CHARLES 2009-04-23 — — US disclosed
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