SCHEMBL18832298

SCHEMBL18832298

C=C(Cc1c(F)ccc([N+](=O)[O-])c1F)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CES2 O00748 1/20 0.38
ACHE P22303 1/20 0.38
CES1 P23141 1/20 0.38
GPR174 Q9BXC1 2/20 0.37
LMNA P02545 3/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL1350331 0.81 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL25399154 0.77 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6583252 0.76 CYP1A2 (0.45) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL31558555 0.76 CYP1A2 (0.45) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6284303 0.76 PDGFRB (0.43) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL30765972 0.76 PDGFRB (0.43) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4706566 0.75 MAPT (0.43) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2975400 0.74 ATM (0.40) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5434215 0.73 KMT2A (0.44) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11900588 0.73 ITGB1 (0.39) MAPTALDH1A1SMN1; SMN2KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3168224-A1 ORGANOZINC COMPOSITION Ludwig-Maximilians-Universität München (DE) 2017-05-17 EP disclosed
EP-3168224-A1 ORGANOZINC COMPOSITION Ludwig-Maximilians-Universität München (DE) 2017-05-17 EP disclosed