SCHEMBL29622732

SCHEMBL29622732

CCOC(=O)/C(F)=C/c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 4/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
FBP1 P09467 1/20 0.43
PTPN1 P18031 1/20 0.43
GLO1 Q04760 1/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.40
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL5786549 0.89 MAPT (0.49) MAPTALDH1A1KDM4ETDP1LMNA
SCHEMBL5786539 0.89 MAPT (0.49) MAPTALDH1A1KDM4ETDP1LMNA
SCHEMBL5786542 0.89 MAPT (0.49) MAPTALDH1A1KDM4ETDP1LMNA
Potassium Ion SCHEMBL3930246 0.88 MAPT (0.48) MAPTALDH1A1KDM4ETDP1LMNA
Potassium Ion SCHEMBL3930244 0.88 MAPT (0.48) MAPTALDH1A1KDM4ETDP1LMNA
SCHEMBL18069254 0.84 MAPT (0.58) MAPTALDH1A1KDM4ETDP1LMNA
SCHEMBL24358978 0.80 STAT3 (0.52) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4069118 0.79 MAPT (0.44) MAPTALDH1A1KDM4ETDP1LMNA
SCHEMBL28979235 0.79 MAPT (0.55) MAPTALDH1A1KDM4ETDP1LMNA
SCHEMBL5782741 0.76 MAPT (0.51) MAPTALDH1A1TDP1KMT2ANPSR1

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-2022087624-A1 COMPOUNDS AS RAS INHIBITORS AND USES THEREOF BIOARDIS LLC (US) 2022-04-28 WO disclosed