SCHEMBL6936296

SCHEMBL6936296

Cc1oncc1OC(=O)Nc1ccc(NC(=O)CBr)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
THRB P10828 1/20 0.39
PIM1 P11309 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
AGTR1 P30556 1/20 0.39
CCKBR P32239 1/20 0.39
MC4R P32245 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 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
SCHEMBL6937152 0.87 CA1 (0.40) RAB9ANPC1SMN1; SMN2GMNNLMNA
SCHEMBL6932048 0.84 MAPT (0.46) RAB9ANPC1SMN1; SMN2GMNNLMNA
SCHEMBL6931877 0.83 THRB (0.48) RAB9ANPC1SMN1; SMN2GMNNLMNA
SCHEMBL8822110 0.82 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2HTTBLM
SCHEMBL7783570 0.80 DHODH (0.63) RAB9ANPC1SMN1; SMN2GMNNLMNA
SCHEMBL10648551 0.79 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2GMNNLMNA
SCHEMBL10643669 0.78 NPC1 (0.38) RAB9ANPC1SMN1; SMN2GMNNLMNA
SCHEMBL10646741 0.77 DHODH (0.43) RAB9ANPC1SMN1; SMN2GMNNLMNA
SCHEMBL10644685 0.76 NPC1 (0.41) RAB9ANPC1SMN1; SMN2GMNNLMNA
SCHEMBL2787802 0.70 DHODH (0.48) RAB9ANPC1SMN1; SMN2GMNNLMNA

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 4 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 claimed
EP-0859000-A1 Isoxazole amide and crotonamid derivatives and drug and diagnostic uses thereof HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-19 EP claimed
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