SCHEMBL17563602

SCHEMBL17563602

CCCCCSc1nc(NC)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 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KCNH3 Q9ULD8 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTT P42858 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DNM2 P50570 5/20 0.36

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
SCHEMBL17563613 0.94 CXCR2 (0.38) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL18757554 0.93 CXCR2 (0.39) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL17577089 0.92 SMN1; SMN2 (0.40) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL18466753 0.91 CXCR2 (0.39) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL18680416 0.90 CXCR2 (0.40) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL17563720 0.87 CXCR2 (0.35) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL8077020 0.87 KMT2A (0.51) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL22246694 0.86 SMN1; SMN2 (0.47) CXCR2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL24831477 0.86 DNM2 (0.46) KMT2ADNM2
SCHEMBL8072012 0.83 DNM2 (0.48) CXCR2SMN1; SMN2LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016036847-A9 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2017-04-20 — — WO disclosed
US-20170088671-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2017-03-30 — — US disclosed
US-9562137-B2 Synthetic polymers and methods of making and using the same BATTELLE MEMORIAL INSTITUTE (US) 2017-02-07 — — US disclosed
US-20160257785-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME U.S. DEPARTMENT OF ENERGY 2016-09-08 — — US disclosed
US-9365676-B2 Synthetic polymers and methods of making and using the same BATTELLE MEMORIAL INSTITUTE (US) 2016-06-14 — — US disclosed
US-20160068635-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE 2016-03-10 — — US disclosed
WO-2016036847-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2016-03-10 — — WO disclosed
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