SCHEMBL8551841

SCHEMBL8551841

O=c1cc(C(F)(F)F)[nH]c(=O)n1Cc1cc2c(cc1F)OC[NH+]([O-])C2O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL8547713 0.83
SCHEMBL10696215 0.67 HSP90AA1 (0.43) ALDH1A1KDM4ETP53KMT2A
SCHEMBL8924655 0.66 MKNK1 (0.39) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E
SCHEMBL8525560 0.62 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E
SCHEMBL8820735 0.61 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E
SCHEMBL9237639 0.59 MAOB (0.44) KMT2A
SCHEMBL8820721 0.59 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E
SCHEMBL6802264 0.59 BCAT2 (0.42) ALDH1A1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL23415041 0.58 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E
SCHEMBL8818440 0.57 BCAT1 (0.50) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KDM4E

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
EP-0815106-A1 3-ARYLURACILS AND INTERMEDIATES FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1998-01-07 EP disclosed