SCHEMBL27872107

SCHEMBL27872107

CC(C)(C)NC(=O)OCc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
IDO1 P14902 2/20 0.49
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TGM2 P21980 1/20 0.46
ANO1 Q5XXA6 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLQ O75417 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TACR1 P25103 1/20 0.41
EPHX2 P34913 2/20 0.40
SGMS2 Q8NHU3 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL27689604 0.82 ALDH1A1 (0.51) MAOBIDO1LMNAPOLBANO1
SCHEMBL27543621 0.81 SCN8A (0.50) MAOBMAOAANO1KDM4EALDH1A1
SCHEMBL27732569 0.81 NR1H2 (0.41) IDO1POLBANO1MEN1KMT2A
SCHEMBL27571702 0.80 IDO1 (0.44) IDO1LMNAANO1MEN1KMT2A
SCHEMBL27574459 0.80 L3MBTL1 (0.49) MAOBLMNAANO1MEN1KMT2A
SCHEMBL14446886 0.80 MAOB (0.60) MAOBMAOAIDO1POLQFFAR1
SCHEMBL7408262 0.79 SMN1; SMN2 (0.43) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL27629113 0.79 KMT2A (0.50) IDO1POLBANO1MEN1KMT2A
SCHEMBL27554661 0.79 ALDH1A1 (0.40) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL19765223 0.78 MAOB (0.55) MAOBMAOAIDO1LMNATGM2

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-102471283-A Flavin derivatives BIORELIX INC 2012-05-23 CN disclosed