SCHEMBL6137874

SCHEMBL6137874

N=C(N)N(CCCCc1ccccc1)C(=O)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.54
F10 P00742 5/20 0.54
F7 P08709 5/20 0.54
SCN5A Q14524 1/20 0.52
SCN2A Q99250 1/20 0.52
GPR52 Q9Y2T5 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL6137825 0.84 HPGD (0.50) F2F10F7SCN5ASCN2A
SCHEMBL6137843 0.81 TDP1 (0.45) F2F10F7HDAC3HDAC4
SCHEMBL6137934 0.76 SCN5A (0.49) F2F10F7SCN5ASCN2A
Hydrochloric Acid SCHEMBL7881498 0.75 AR (0.50) KDM4EALDH1A1HPGD
SCHEMBL6138123 0.74 KDM4E (0.49) KDM4EALDH1A1L3MBTL1
SCHEMBL6003647 0.73 LPAR1 (0.53) SCN5ASCN2AGPR52KDM4EALDH1A1
SCHEMBL6138071 0.73 MAPT (0.47) SCN5ASCN2AGPR52KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7873820 0.71 AR (0.51) KDM4EALDH1A1HPGD
SCHEMBL1744969 0.71 NOS1 (0.52)
SCHEMBL2200928 0.70 CDC25B (0.68) SCN5ASCN2AGPR52KDM4EALDH1A1

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