SCHEMBL6137825

SCHEMBL6137825

Cc1ccccc1C(=O)N(CCCCc1ccccc1)C(=N)N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 2/20 0.48
GPR52 Q9Y2T5 1/20 0.42
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39

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
SCHEMBL6137874 0.84 F2 (0.54) HPGDSCN5ASCN2AGPR52L3MBTL1
SCHEMBL6137843 0.82 TDP1 (0.45) SMN1; SMN2MAPK1KMT2ASIGMAR1F2
SCHEMBL6137934 0.77 SCN5A (0.49) SCN5ASCN2AKMT2AL3MBTL1SIGMAR1
SCHEMBL6003647 0.77 LPAR1 (0.53) HPGDSCN5ASCN2AKMT2AGPR52
SCHEMBL6138071 0.74 MAPT (0.47) HPGDSMN1; SMN2SCN5ASCN2AKMT2A
SCHEMBL1744969 0.72 NOS1 (0.52) SMN1; SMN2KMT2A
SCHEMBL2228231 0.72 KMT2A (0.71) HPGDSMN1; SMN2TSHRMAPK1KMT2A
Hydrochloric Acid SCHEMBL7881498 0.72 AR (0.50) HPGDMAPK1ALDH1A1
SCHEMBL6869180 0.71 KMT2A (0.47) HPGDTSHRMAPK1KMT2AALDH1A1
SCHEMBL8582839 0.70 HPGD (0.44) HPGDALDH1A1

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