SCHEMBL28960141

SCHEMBL28960141

NC(=O)OCC(=CF)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAOB P27338 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
AOC2 O75106 1/20 0.50
DAO P14920 1/20 0.50
MAOA P21397 1/20 0.50
AOC3 Q16853 2/20 0.48
POLB P06746 1/20 0.47
PTPN1 P18031 1/20 0.47
NPC1 O15118 3/20 0.46
STAT5A P42229 1/20 0.46
STAT5B P51692 1/20 0.46
RAB9A P51151 2/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 2/20 0.46
MITF O75030 1/20 0.46
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46

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
SCHEMBL21768103 0.82 KMT2A (0.53) KMT2AMAOBRXFP1LMNAMEN1
SCHEMBL21768101 0.82 KMT2A (0.53) KMT2AMAOBRXFP1LMNAMEN1
Trifluoroacetic Acid SCHEMBL21768093 0.81 MAOB (0.60) KMT2AMAOBRXFP1LMNAMEN1
Trifluoroacetic Acid SCHEMBL21768091 0.81 MAOB (0.60) KMT2AMAOBRXFP1LMNAMEN1
SCHEMBL21780053 0.77 AOC3 (0.48) KMT2AMAOBRXFP1LMNAMEN1
SCHEMBL21780043 0.76 AOC3 (0.65) KMT2AMAOBRXFP1MEN1AOC2
SCHEMBL21780049 0.76 AOC3 (0.65) KMT2AMAOBRXFP1MEN1AOC2
SCHEMBL21845060 0.75 KMT2A (0.55) KMT2ARXFP1LMNAMEN1POLB
SCHEMBL21845045 0.75 KMT2A (0.55) KMT2ARXFP1LMNAMEN1POLB
SCHEMBL28995397 0.73 AOC3 (0.46) KMT2AMAOBAOC2DAOMAOA

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-110352188-B Fluoroallylamine derivatives and use thereof 四川科伦博泰生物医药股份有限公司 2022-11-29 CN disclosed