SCHEMBL6932048

SCHEMBL6932048

Cc1oncc1OC(=O)Nc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
THRB P10828 2/20 0.46
BLM P54132 2/20 0.46
GFER P55789 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
CASP6 P55212 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTR1A P08908 1/20 0.42
PIM1 P11309 1/20 0.42
CYP2C9 P11712 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
SCHEMBL6931877 0.87 THRB (0.48) MAPTGAATHRBBLMGFER
SCHEMBL8822110 0.87 ALDH1A1 (0.51) MAPTGAABLMKDM4ESMN1; SMN2
SCHEMBL6937152 0.84 CA1 (0.40) THRBBLMSMN1; SMN2NPC1RAB9A
SCHEMBL7783570 0.84 DHODH (0.63) MAPTTHRBBLMSMN1; SMN2NPC1
SCHEMBL6936296 0.84 RAB9A (0.39) THRBBLMSMN1; SMN2NPC1RAB9A
SCHEMBL10643669 0.82 NPC1 (0.38) THRBBLMSMN1; SMN2NPC1RAB9A
SCHEMBL10648551 0.81 SMN1; SMN2 (0.44) MAPTTHRBBLMSMN1; SMN2NPC1
SCHEMBL10646741 0.79 DHODH (0.43) MAPTTHRBBLMTDP1SMN1; SMN2
SCHEMBL10644685 0.77 NPC1 (0.41) THRBBLMSMN1; SMN2NPC1RAB9A
SCHEMBL8812360 0.75 RAB9A (0.70) MAPTTHRBBLMSMN1; SMN2NPC1

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
EP-0859000-B1 Isoxazole amide and crotonamid derivatives and drug and diagnostic uses thereof AVENTIS PHARMA GMBH (DE) 2003-01-22 EP disclosed
EP-0859000-A1 Isoxazole amide and crotonamid derivatives and drug and diagnostic uses thereof HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-19 EP disclosed