SCHEMBL4609723

SCHEMBL4609723

O=C(Nc1ccccc1Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.55
CA2 P00918 7/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
HDAC1 Q13547 7/20 0.50
HDAC7 Q8WUI4 7/20 0.50
HDAC8 Q9BY41 7/20 0.50
HDAC6 Q9UBN7 7/20 0.50
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
MAOB P27338 1/20 0.44
AR P10275 1/20 0.41

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
SCHEMBL4629040 0.86 CA1 (0.53) CA1CA2L3MBTL1HDAC1HDAC7
SCHEMBL10652081 0.80 CA1 (0.54) CA1CA2HDAC1HDAC7HDAC8
SCHEMBL4629042 0.78 CA1 (0.44) CA1CA2L3MBTL1HDAC1HDAC7
SCHEMBL1274654 0.77 L3MBTL1 (0.65) L3MBTL1MAOB
SCHEMBL2887967 0.75 HDAC1 (0.78) CA1CA2HDAC1HDAC7HDAC8
SCHEMBL4172605 0.74 L3MBTL1 (0.70) L3MBTL1MAOB
SCHEMBL10646923 0.74 CA1 (0.47) CA1CA2HDAC1HDAC7HDAC8
SCHEMBL31252903 0.74 CA1 (0.66) CA1CA2HDAC1HDAC7HDAC8
SCHEMBL10649412 0.74 AR (0.45) CA1CA2L3MBTL1HDAC1HDAC7
SCHEMBL2419022 0.73 L3MBTL1 (0.68) L3MBTL1MAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251346-B1 Sensors for the determination of organometallic compounds DYNASOL ELASTOMEROS SA (ES) 2008-10-15 EP claimed
EP-1251346-A1 Sensors for the determination of organometallic compounds Dynasol Elastomeros, S.A. (ES) 2002-10-23 EP claimed
US-20020151081-A1 Sensors for the determination of organometallic compounds DYNASOL ELASTOMEROS, S.A. 2002-10-17 US claimed
EP-1251346-B1 Sensors for the determination of organometallic compounds DYNASOL ELASTOMEROS SA (ES) 2008-10-15 EP disclosed
US-6875615-B2 Sensors for the determination of organometallic compounds DYNASOL ELASTOMEROS, S.A. (ES) 2005-04-05 US disclosed
EP-1251346-A1 Sensors for the determination of organometallic compounds Dynasol Elastomeros, S.A. (ES) 2002-10-23 EP disclosed
US-20020151081-A1 Sensors for the determination of organometallic compounds DYNASOL ELASTOMEROS, S.A. 2002-10-17 US disclosed