SCHEMBL13634915

SCHEMBL13634915

CCCNC(=O)c1cc(CN2CCCC(C)C2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PARP1 P09874 1/20 0.36
TNK1 Q13470 1/20 0.36
METTL3 Q86U44 1/20 0.36
GLS O94925 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
S1PR1 P21453 2/20 0.35
DRD4 P21917 1/20 0.35
DNM1L O00429 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL13634563 0.96 PDCD1 (0.37) LMNATP53PARP1TNK1GLS
SCHEMBL13634887 0.90 GLS (0.36) LMNAPARP1TNK1METTL3GLS
SCHEMBL13634886 0.89 ACKR3 (0.38) PARP1TNK1GLSDRD4PDCD1
SCHEMBL13634656 0.89 DRD4 (0.41) PARP1TNK1GLSS1PR1DRD4
SCHEMBL13634657 0.89 DRD4 (0.41) PARP1TNK1GLSS1PR1DRD4
SCHEMBL13634884 0.89 S1PR1 (0.40) S1PR1DRD4KMT2AALDH1A1KDM4E
SCHEMBL13634760 0.88 GLS (0.40) TP53HRH3GLSSCDSCD5
SCHEMBL13634738 0.88 GRM2 (0.35) LMNATP53PARP1TNK1PDCD1
SCHEMBL2770055 0.88 PARP1 (0.38) PARP1TNK1GLSSCDSCD5
SCHEMBL13634924 0.88 GLS (0.39) HRH3GLSSCDSCD5HPGD

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed