SCHEMBL27593085

SCHEMBL27593085

CCCCC(=O)c1ccc2c(c1)n(C)c(=O)n2C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ BRD4 O60885 1/20 0.58
▸ BRPF1 P55201 1/20 0.58
▸ GLA P06280 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.51
▸ HSD17B3 P37058 6/20 0.50
▸ HTT P42858 1/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ HPD P32754 3/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TP53 P04637 1/20 0.44

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
SCHEMBL5981648 0.87 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4
SCHEMBL4859467 0.85 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4
SCHEMBL4860594 0.83 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4
SCHEMBL4200128 0.82 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4
SCHEMBL4190022 0.80 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4
SCHEMBL9484562 0.77 SIGMAR1 (0.69) SIGMAR1
SCHEMBL27611288 0.77 HSD17B3 (0.45) ALDH1A1HSD17B10KDM4ESIGMAR1HSD17B3
SCHEMBL6034799 0.76 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4
Hydrochloric Acid SCHEMBL4860132 0.75 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4
SCHEMBL1422842 0.75 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1HSD17B10KDM4EBRD4

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
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 — — CN disclosed
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