SCHEMBL21090669

SCHEMBL21090669

C=C/C=C(\C)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 5/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 4/20 0.50
IDO1 P14902 1/20 0.50
PKM P14618 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL18665944 0.85 TP53 (0.56) L3MBTL1MAPTALDH1A1GAANPSR1
SCHEMBL28825701 0.84 L3MBTL1 (0.59) L3MBTL1MAPTALDH1A1GAANPSR1
SCHEMBL9235084 0.84 MEN1 (0.55) L3MBTL1MAPTALDH1A1GAANPSR1
SCHEMBL18666197 0.82 MAPT (0.52) L3MBTL1MAPTALDH1A1GAANPSR1
SCHEMBL19089736 0.81 TP53 (0.49) L3MBTL1MAPTALDH1A1GAANPSR1
SCHEMBL8344229 0.81 L3MBTL1 (0.52) L3MBTL1MAPTALDH1A1GAANPSR1
SCHEMBL2884961 0.81 L3MBTL1 (0.52) L3MBTL1MAPTALDH1A1GAANPSR1
SCHEMBL2884963 0.81 L3MBTL1 (0.52) L3MBTL1MAPTALDH1A1GAANPSR1
SCHEMBL19766263 0.79 L3MBTL1 (0.61) L3MBTL1MAPTALDH1A1GAANPSR1
SCHEMBL5207667 0.79 TP53 (0.60) L3MBTL1MAPTALDH1A1GAANPSR1

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-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 WO disclosed