SCHEMBL6924904

SCHEMBL6924904

Cc1nc2c(C)cc(OC(C)(C)C(=O)O)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.39
PPARA Q07869 5/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 2/20 0.37
ACACB O00763 1/20 0.36
HTT P42858 1/20 0.36
HSP90AA1 P07900 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARD Q03181 1/20 0.35
MME P08473 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
SCHEMBL6488936 0.84 PPARA (0.46) PPARACYP1A2CYP3A4PPARG
SCHEMBL3962137 0.80 DHODH (0.43) DHODHHTTHSP90AA1ESR2TDP1
SCHEMBL6927743 0.78 PPARA (0.39) DHODHPPARACYP1A2PPARGTDP1
SCHEMBL10288043 0.74 HTT (0.44) DHODHHTT
SCHEMBL3598533 0.73 PPARA (0.52) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL6923484 0.73 MCL1 (0.47) DHODHPPARACYP1A2CYP2D6CYP2C19
SCHEMBL6926116 0.72 SMN1; SMN2 (0.55) DHODHPPARAPPARGACACBPPARD
SCHEMBL1144471 0.71 HSP90AA1 (0.57) DHODHHTTHSP90AA1ESR2TDP1
SCHEMBL15262962 0.71 PPARA (0.49) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL6502505 0.69 AR (0.43) DHODHMEN1CYP1A2CYP2D6MAPT

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-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed