SCHEMBL24038403

SCHEMBL24038403

C=C(c1cc(C)ccc1NC)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.34
GAA P10253 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GFER P55789 1/20 0.33
HPGD P15428 1/20 0.33
METAP2 P50579 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
TP53 P04637 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL17771905 0.78 GAA (0.37) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL21075951 0.74 PKM (0.39) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL18869429 0.74 GAA (0.36) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL14191236 0.71 PRKCI (0.46) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL12352662 0.71 GAA (0.37) MAPTTSHRALDH1A1GAAKDM4E
SCHEMBL11412178 0.71 MEN1 (0.58) MAPTALDH1A1MEN1KMT2AGFER
SCHEMBL19575431 0.70 KDM4E (0.32) TSHRALDH1A1GAAKDM4EGLA
SCHEMBL19403881 0.69 MEN1 (0.45) ALDH1A1GAAKDM4EGLAPKM
SCHEMBL3367619 0.69 MAP2K2 (0.40) GAAKDM4EMEN1KMT2AHPGD
SCHEMBL18754812 0.67 ALDH1A1 (0.45) MAPTALDH1A1GAAKDM4EGLA

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-2021229302-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-11-18 WO disclosed