SCHEMBL16013304

SCHEMBL16013304

O=C(O)CCc1nc2c(O)ncnc2s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.45
MKNK1 Q9BUB5 4/20 0.37
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CSNK2A2 P19784 3/20 0.35
CSNK2B P67870 3/20 0.35
CSNK2A1 P68400 3/20 0.35
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOTUM Q6P988 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4933138 0.73 HDAC6 (0.53) HDAC6ALOX15HTTSMN1; SMN2CSNK2A2
SCHEMBL16024218 0.72 MKNK1 (0.45) MKNK1SMN1; SMN2POLB
SCHEMBL17707701 0.69 ADORA2A (0.36) MKNK1HTTSMN1; SMN2KDM4EMEN1
SCHEMBL4929694 0.67 HDAC6 (0.53) HDAC6ALOX15HTTSMN1; SMN2MEN1
SCHEMBL22094957 0.66 ADORA3 (0.47) HDAC6MKNK1KDM4ENOTUM
SCHEMBL25211649 0.64 HDAC6 (0.45) HDAC6ALOX15HTTSMN1; SMN2
SCHEMBL8658335 0.63 AKR1A1 (0.55)
SCHEMBL24331734 0.63 AKR1B1 (0.52) HDAC6ALOX15HTTSMN1; SMN2KDM4E
SCHEMBL1514591 0.62 HDAC6 (1.00) HDAC6ALOX15HTTSMN1; SMN2MEN1
SCHEMBL28979179 0.61 HDAC6 (0.50) HDAC6ALOX15HTTSMN1; SMN2KDM4E

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-2964656-A1 SUBSTITUTED THIAZOLOPYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2016-01-13 EP disclosed
WO-2014135480-A1 SUBSTITUTED THIAZOLOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-12 WO disclosed