SCHEMBL28196822

SCHEMBL28196822

O=[N+]([O-])c1cc(F)c(N2CCC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 9/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL18876391 0.95 MAPT (0.51) ALDH1A1KMT2AMAPTPKMMAPK1
SCHEMBL18396739 0.89 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTPKMMAPK1
SCHEMBL4383340 0.86 MAPT (0.52) ALDH1A1KMT2AMAPTGAALMNA
SCHEMBL4248209 0.86 MAPT (0.49) ALDH1A1KMT2AMAPTPKMMAPK1
SCHEMBL28980384 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTPKMMAPK1
SCHEMBL239465 0.84 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTPKMMAPK1
SCHEMBL22471423 0.84 MAPT (0.59) ALDH1A1KMT2AMAPTGAALMNA
SCHEMBL2450512 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTGAALMNA
SCHEMBL3043208 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTGAALMNA
SCHEMBL3513303 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTPKMGAA

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
CN-107567443-A biaryl derivatives as GPR120 agonists 株式会社LG化学 2018-01-09 CN disclosed