SCHEMBL10119066

SCHEMBL10119066

Cc1c(C#N)sc(/N=N/c2c(NCCCO)nc(NCCCO)c(C#N)c2C)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.39
▸ ALDH1A1 P00352 11/20 0.39
▸ GAA P10253 5/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ AURKA O14965 2/20 0.37
▸ LMNA P02545 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HPGD P15428 6/20 0.34
▸ MEN1 O00255 2/20 0.33

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
SCHEMBL15170343 0.93 CCNA2 (0.44) KDM4EALDH1A1GAAKMT2APOLB
SCHEMBL10119019 0.93 CCNA2 (0.44) KDM4EALDH1A1GAAKMT2APOLB
SCHEMBL15169763 0.82 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL15169765 0.82 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL10119233 0.82 TP53 (0.30) ALDH1A1POLB
SCHEMBL10119018 0.79 TP53 (0.35) ALDH1A1
SCHEMBL14004445 0.78 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL14004448 0.78 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL13904473 0.77 ADORA2A (0.40) KDM4EALDH1A1GAAKMT2ALMNA
SCHEMBL19980890 0.74 TP53 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 — — EP disclosed
US-9487611-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2016-11-08 — — US disclosed
US-20130208344-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-08-15 — — US disclosed
WO-2012019704-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2012-02-16 — — WO disclosed
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