SCHEMBL13739397

SCHEMBL13739397

CCOC(=O)C1CCCC(c2nccs2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
RBBP9 O75884 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
DRD4 P21917 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2593276 0.84 KMT2A (0.43) ALDH1A1KDM4ERBBP9PKMMEN1
SCHEMBL2593273 0.84 KMT2A (0.43) ALDH1A1KDM4ERBBP9PKMMEN1
SCHEMBL2014210 0.80 KDM4E (0.43) KDM4ERBBP9MEN1KMT2ASMN1; SMN2
SCHEMBL2036893 0.79 RBBP9 (0.39) ALDH1A1KDM4ERBBP9MEN1KMT2A
SCHEMBL2037647 0.77 KDM4E (0.47) KDM4ERBBP9MEN1KMT2ASMN1; SMN2
SCHEMBL27110898 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EPKMMEN1KMT2A
SCHEMBL6642114 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1169921 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL22816571 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL17731170 0.72 JAK2 (0.43) ALDH1A1KDM4EPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2706853-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-19 EP disclosed
WO-2012154519-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 WO disclosed