SCHEMBL30488170

SCHEMBL30488170

O=C1OCc2cc(C(F)(F)F)ncc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.43
MAOB P27338 6/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
PRF1 P14222 5/20 0.41
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
RECQL P46063 1/20 0.37
CHEK1 O14757 1/20 0.37
FLT3 P36888 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PKM P14618 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
SCHEMBL14107455 1.00 MAOA (0.43) MAOAMAOBMAPTLMNAGAA
SCHEMBL903470 0.74 MAPT (0.44) MAOAMAOBMAPTLMNAGAA
SCHEMBL31084562 0.74 MAPT (0.44) MAOAMAOBMAPTLMNAGAA
SCHEMBL31137756 0.73 PDE3B (0.36) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL23976333 0.72 MAOB (0.40) MAOAMAOBCHEK1FLT3
SCHEMBL30062124 0.72 MAOB (0.40) MAOAMAOBCHEK1FLT3
SCHEMBL30040123 0.69 MAOA (0.62) MAOAMAOBMAPTLMNAGAA
SCHEMBL9123030 0.69 MAOA (0.62) MAOAMAOBMAPTLMNAGAA
SCHEMBL13412837 0.69 CYP3A4 (0.63) MAOAMAOBMAPTLMNAGAA
SCHEMBL2728805 0.67 CYP3A4 (0.44) MAOAMAOBMAPTLMNAGAA

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-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed