SCHEMBL6139870

SCHEMBL6139870

Cc1ccc(C(=O)N(Cc2cccc3ccccc23)C(=N)N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
SCN2A Q99250 2/20 0.51
SCN5A Q14524 1/20 0.51
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PARP10 Q53GL7 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NLRP3 Q96P20 1/20 0.42
MTNR1A P48039 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.40
KDM4A O75164 1/20 0.40
CTDSP1 Q9GZU7 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
SCHEMBL6137845 0.86 L3MBTL1 (0.52) L3MBTL1LMNAPKMHDAC1HDAC6
SCHEMBL6137702 0.80 MEN1 (0.47) L3MBTL1LMNASCN2AHDAC1HDAC6
SCHEMBL27547473 0.73 PARP10 (0.57) L3MBTL1LMNAPKMSCN2ASCN5A
SCHEMBL17583642 0.72 L3MBTL1 (0.61) L3MBTL1LMNAPKMSCN2ASCN5A
SCHEMBL1420697 0.72 TDP1 (0.53) L3MBTL1HDAC1HDAC6CYP2C19CYP1A2
SCHEMBL11312913 0.72 CYP2D6 (0.55) L3MBTL1LMNAPKMSCN2ASCN5A
SCHEMBL5647636 0.71 PDK1 (0.57) HDAC1HDAC6CYP2C19CYP1A2CYP2D6
SCHEMBL9314705 0.69 PDK1 (0.53) HDAC1HDAC6CYP2C19CYP1A2CYP2D6
SCHEMBL9314017 0.69 HCRTR1 (0.52) L3MBTL1CYP2C19CYP1A2CYP2D6MEN1
SCHEMBL6137840 0.69 SCN5A (0.49) L3MBTL1LMNAPKMSCN2ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP claimed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP claimed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO claimed