SCHEMBL6272201

SCHEMBL6272201

O=C(Oc1ccc(-c2ccc(F)cc2)c(F)c1)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ATM Q13315 2/20 0.41
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KMT2A Q03164 4/20 0.37
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
MEN1 O00255 3/20 0.37

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
SCHEMBL38665307 0.74 CYP1A2 (0.73) L3MBTL1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL12724363 0.74 CYP1A2 (0.73) L3MBTL1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL12152596 0.71 BACE1 (0.47) CYP2C9CYP2C19KMT2AMEN1LMNA
SCHEMBL6264755 0.71 CYP1A2 (0.61) L3MBTL1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL14752919 0.70 APP (0.43) CYP2C9CYP2C19KMT2AMEN1LMNA
SCHEMBL21841918 0.68 ACHE (0.44) CYP2C9CYP2C19KMT2AMEN1LMNA
SCHEMBL7516204 0.68 CYP1A2 (0.60) L3MBTL1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL7551854 0.68 CYP1A2 (0.60) L3MBTL1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL9551089 0.68 ATM (0.59) L3MBTL1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL9842371 0.67 CA2 (0.39) L3MBTL1CYP2C9CYP2C19ATMKMT2A

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-2005095544-A1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2005-10-13 WO disclosed