SCHEMBL13134244

SCHEMBL13134244

C=CC(=O)Oc1cnc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 10/20 0.47
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RHOA P61586 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL5758426 0.87 KMT2A (0.57) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL27899785 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13134353 0.81 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13134291 0.81 THRB (0.56) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL11031958 0.80 MGAM (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3151982 0.80 MEN1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL5190460 0.78 KMT2A (0.58) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL6943603 0.78 MEN1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL6629591 0.78 MEN1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13134242 0.76 KDM4E (0.52) MEN1KMT2AALDH1A1SMN1; 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
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed