SCHEMBL17577089

SCHEMBL17577089

CCCCCSc1nc(N)nc(NCCNc2nc(NCCNc3nc(NCCNc4nc(NCCNc5nc(NCCNc6nc(NC)nc(SCCCCC)n6)nc(SCCCCC)n5)nc(SCCCCC)n4)nc(SCCCCC)n3)nc(SCCCCC)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CXCR2 P25025 1/20 0.40
▸ TLR8 Q9NR97 4/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KCNH3 Q9ULD8 1/20 0.34
▸ HSP90AA1 P07900 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MAPK1 P28482 2/20 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
SCHEMBL17563602 0.92 CXCR2 (0.40) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL8075559 0.90 SMN1; SMN2 (0.49) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL18757554 0.88 CXCR2 (0.39) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL8077053 0.87 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL18466753 0.86 CXCR2 (0.39) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL17563613 0.86 CXCR2 (0.38) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL18680416 0.83 CXCR2 (0.40) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL14869420 0.81 KCNH3 (0.49) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL17563720 0.80 CXCR2 (0.35) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL8077020 0.79 KMT2A (0.51) SMN1; SMN2LMNAMAPTALDH1A1HPGD

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-20160068635-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE 2016-03-10 — — US disclosed
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