SCHEMBL27980463

SCHEMBL27980463

O=COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 7/20 0.65
YAP1 P46937 1/20 0.62
TEAD4 Q15561 1/20 0.62
TEAD2 Q15562 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MPO P05164 3/20 0.54
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GRIK1 P39086 1/20 0.51
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
AURKA O14965 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
MAPK8 P45983 1/20 0.50

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
SCHEMBL9271694 0.86 RXFP1 (0.70) RXFP1YAP1TEAD4TEAD2LMNA
SCHEMBL10597386 0.81 LMNA (0.71) RXFP1YAP1TEAD4TEAD2LMNA
SCHEMBL10601573 0.81 RXFP1 (0.67) RXFP1YAP1TEAD4TEAD2LMNA
Flufenamic Acid SCHEMBL29356958 0.81 RXFP1 (0.75) RXFP1YAP1TEAD4TEAD2LMNA
Flufenamic Acid SCHEMBL17497 0.81 RXFP1 (0.75) RXFP1YAP1TEAD4TEAD2LMNA
SCHEMBL11494752 0.81 LMNA (0.67) RXFP1YAP1TEAD4TEAD2LMNA
SCHEMBL27980323 0.81 MAPT (0.68) RXFP1TEAD4ALDH1A1MAPTAKR1C3
SCHEMBL12715082 0.81 LMNA (0.91) RXFP1YAP1TEAD4TEAD2LMNA
SCHEMBL12851592 0.80 RXFP1 (0.78) RXFP1YAP1TEAD4TEAD2LMNA
SCHEMBL9522037 0.80 YAP1 (0.74) RXFP1YAP1TEAD4TEAD2LMNA

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
CN-104098503-A Isoindoline compound, preparation method and anti-depression application thereof INST MATERIA MEDICA CAMS 2014-10-15 CN disclosed