SCHEMBL9070826

SCHEMBL9070826

COc1cc(C(=S)Nc2nncs2)cc(OCCCc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
MIF P14174 1/20 0.40
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 2/20 0.36
PIK3CA P42336 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL9070869 0.88 RAB9A (0.51) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9070824 0.85 SMN1; SMN2 (0.44) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9070889 0.84 RAB9A (0.44) POLBKDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL9070888 0.81 PIK3CA (0.47) POLBKDM4ECYP1A2CYP2C19L3MBTL1
SCHEMBL9070806 0.77 RAB9A (0.43) POLBKDM4EL3MBTL1MIFALDH1A1
SCHEMBL9070825 0.75 GCK (0.56) RAB9ANPC1SMN1; SMN2
SCHEMBL2667716 0.74 KDM4E (0.48) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9070885 0.74 ALDH1A1 (0.47) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9070886 0.74 RAB9A (0.46) POLBKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9070900 0.73 RAB9A (0.55) KDM4EL3MBTL1ALDH1A1HSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed