SCHEMBL6138071

SCHEMBL6138071

N=C(N)N(CCCc1ccccc1)C(=O)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 1/20 0.47
CCR6 P51684 1/20 0.47
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 2/20 0.43
OPRM1 P35372 3/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
GPR52 Q9Y2T5 1/20 0.42
ALOX5 P09917 1/20 0.41
HPGD P15428 2/20 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
SCHEMBL6137843 0.79 TDP1 (0.45) MAPTLMNATDP1SMN1; SMN2NPC1
SCHEMBL1744969 0.74 NOS1 (0.52) TDP1SMN1; SMN2NPC1RAB9AOPRK1
SCHEMBL6137934 0.74 SCN5A (0.49) MAPTSCN5ASCN2AL3MBTL1NPC1
SCHEMBL6137825 0.74 HPGD (0.50) SCN5ASCN2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL6137874 0.73 F2 (0.54) SCN5ASCN2AL3MBTL1ALDH1A1GPR52
Hydrochloric Acid SCHEMBL7873820 0.72 AR (0.51) MAPTALDH1A1HPGDKDM4E
SCHEMBL25416131 0.71 ALOX5 (0.51) MAPTLMNATDP1SMN1; SMN2NPC1
SCHEMBL6003647 0.71 LPAR1 (0.53) MAPTTDP1SCN5ASCN2AL3MBTL1
SCHEMBL14802220 0.70 ALDH1A1 (0.70) MAPTLMNATDP1TP53CCR6
SCHEMBL11213620 0.70 CES2 (0.47) MAPTTDP1L3MBTL1SMN1; SMN2ALDH1A1

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