SCHEMBL9070908

SCHEMBL9070908

CC(C)Oc1cc(C(=O)Nc2nc(CC(=O)O)cs2)cc(Oc2ccc(C(=O)N(C)C)cn2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CPT1A P50416 5/20 0.42
CPT1B Q92523 5/20 0.42
SCD O00767 6/20 0.42
PDE5A O76074 3/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CPT2 P23786 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9070906 0.91 MAPT (0.56) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL2667539 0.91 GCK (0.42) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL2667655 0.89 CPT1A (0.44) CPT1ACPT1BSCDPDE5ARAB9A
SCHEMBL9070911 0.85 GCK (0.46) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL9070943 0.85 GCK (0.45) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL2667481 0.84 F2 (0.42) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL2667552 0.84 ALDH1A1 (0.43) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL2667980 0.84 GCK (0.47) MAPTSCDRAB9AMAPK1ALDH1A1
SCHEMBL2667546 0.83 MAPT (0.52) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL9070966 0.80 GRM5 (0.50) MAPTRAB9A

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