SCHEMBL6137876

SCHEMBL6137876

CCOc1ccc(C(=O)N(C(=N)N)c2ccccc2C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
HPGD P15428 1/20 0.40
GBA1 P04062 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
HTT P42858 2/20 0.39
PAX8 Q06710 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL6137957 0.74 TRPM8 (0.40) NPC1RAB9AMAPTALDH1A1KMT2A
SCHEMBL28425736 0.71 HPGD (0.48) PARP10PRSS1PRSS2PRSS3NPC1
SCHEMBL28809795 0.71 MAPT (0.56) PARP10NPC1RAB9ALMNAMAPT
SCHEMBL6138040 0.71 MAPT (0.52) PARP10PRSS1PRSS2PRSS3NPC1
SCHEMBL4628567 0.69 KMT2A (0.53) NPC1RAB9ALMNAMAPTALDH1A1
Benzamide SCHEMBL5531824 0.67 PARP10 (0.86) PARP10PRSS1PRSS2PRSS3NPC1
SCHEMBL6137717 0.67 ALOX12 (0.47) PARP10PRSS1PRSS2PRSS3NPC1
SCHEMBL9627587 0.67 SIGMAR1 (0.42) LMNAKMT2AHPGDCYP1A2CYP3A4
SCHEMBL9388919 0.67 ALDH1A1 (0.66) PARP10PRSS1PRSS2PRSS3NPC1
Hydrochloric Acid SCHEMBL11835550 0.66 PARP10 (0.53) PARP10PRSS1PRSS2PRSS3NPC1

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