SCHEMBL17576144

SCHEMBL17576144

CCSc1nc(NCCN)nc(SCC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ABCB1 P08183 2/20 0.36
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CXCR4 P61073 1/20 0.31
▸ CDK1 P06493 3/20 0.31
▸ USP28 Q96RU2 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL17826478 0.90 HTT (0.49) HSP90AA1HTTGAASMN1; SMN2ALDH1A1
SCHEMBL18466767 0.90 HTT (0.49) HSP90AA1HTTGAASMN1; SMN2ALDH1A1
SCHEMBL18466734 0.90 HSP90AA1 (0.51) HSP90AA1HTTABCB1ADORA2AADORA1
SCHEMBL17563813 0.90 HSP90AA1 (0.51) HSP90AA1HTTABCB1ADORA2AADORA1
SCHEMBL18466906 0.90 HTT (0.38) HSP90AA1HTTABCB1ADORA2AADORA1
SCHEMBL18679951 0.88 HSP90AA1 (0.46) HSP90AA1HTTABCB1ADORA2AADORA1
SCHEMBL18466738 0.88 HSP90AA1 (0.46) HSP90AA1HTTABCB1GAASMN1; SMN2
SCHEMBL18680425 0.88 HTT (0.37) HSP90AA1HTTABCB1GAASMN1; SMN2
SCHEMBL17564593 0.88 KMT2A (0.43) HSP90AA1HTTLMNAMAPTKMT2A
SCHEMBL17826463 0.88 HSP90AA1 (0.46) HSP90AA1HTTABCB1GAASMN1; SMN2

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 11 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-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-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-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-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
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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