SCHEMBL23248574

SCHEMBL23248574

O=[N+]([O-])c1cnn(C(F)F)c1.O=[N+]([O-])c1cnn(C(F)F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 3/20 0.33
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
ELANE P08246 1/20 0.32
HSP90AA1 P07900 1/20 0.32
LMNA P02545 3/20 0.31
ALDH1A1 P00352 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
SCHEMBL26123972 0.86 PKM (0.37) SMN1; SMN2PKMLMNAALDH1A1
SCHEMBL3264887 0.83 RXFP1 (0.43) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL23248467 0.71 RXFP1 (0.36) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL2518415 0.70 PKM (0.40) SMN1; SMN2PKMLMNAALDH1A1
SCHEMBL26120935 0.67 POLB (0.40) SMN1; SMN2PKMLMNAALDH1A1
SCHEMBL574383 0.67 RXFP1 (0.49) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL18520107 0.66 MAPT (0.45) RXFP1HSP90AA1LMNAALDH1A1
SCHEMBL15329966 0.64 RXFP1 (0.41) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL27275347 0.64 RXFP1 (0.44) RXFP1SMN1; SMN2F2PLAUELANE
SCHEMBL23248575 0.64 ALDH1A1 (0.30) ALDH1A1

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-2021075476-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2021-04-22 WO disclosed