SCHEMBL10195752

SCHEMBL10195752

CC(C)(C)OC(=O)Nc1ccc(CO)cc1C(=N)c1cn(-c2ccc(C(=O)N3CCOCC3)cc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.40
WDR5 P61964 1/20 0.37
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
BTK Q06187 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
CA4 P22748 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
SCHEMBL10194735 0.87 IDO1 (0.37) GPR119WDR5HPGDSMN1; SMN2GAA
SCHEMBL17850414 0.81 HPGD (0.40) WDR5HPGDSMN1; SMN2GAANPC1
SCHEMBL10195751 0.76 ESRRA (0.40) GPR119CA1CA2CA9CA12
SCHEMBL9952570 0.71 GRM1 (0.40) GPR119HPGDSMN1; SMN2GAANPC1
SCHEMBL10194916 0.68 IDO1 (0.42) WDR5HPGDSMN1; SMN2GAAALDH1A1
SCHEMBL24372818 0.68 HPGD (0.59) HPGDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1284776 0.68 HPGD (0.62) HPGDSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL18379003 0.68 HSD17B10 (0.55) HPGDSMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL27400423 0.67 ALDH1A1 (0.55) HPGDSMN1; SMN2GAANPC1RAB9A
SCHEMBL10194740 0.67 GAA (0.39) SMN1; SMN2GAALMNAKDM4EIDO1

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-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed