SCHEMBL6137957

SCHEMBL6137957

Cc1ccccc1C(=O)N(C(=N)N)c1ccccc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
PLK1 P53350 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
PLK2 Q9NYY3 1/20 0.33

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
SCHEMBL6137836 0.78 TRPM8 (0.42) TRPM8KMT2ATSHRMAPK1ALDH1A1
SCHEMBL6137876 0.74 PARP10 (0.47) KMT2AMAPK1ALDH1A1NPC1RAB9A
SCHEMBL6869180 0.73 KMT2A (0.47) TRPM8KMT2ATSHRMAPK1ALDH1A1
SCHEMBL9627587 0.71 SIGMAR1 (0.42) KMT2ATSHRSIGMAR1SLC6A2
SCHEMBL12989218 0.69 KMT2A (0.50) TRPM8KMT2ATSHRMAPK1NPC1
Boric Acid SCHEMBL8170320 0.69 KMT2A (0.44) TRPM8KMT2ATSHRMAPK1ALDH1A1
SCHEMBL27365885 0.69 SIGMAR1 (0.44) TRPM8TSHRALDH1A1SIGMAR1MAPT
SCHEMBL10615591 0.68 ALDH1A1 (0.35) KMT2ATSHRMAPK1ALDH1A1SLC6A2
SCHEMBL20628407 0.67 KMT2A (0.45) TRPM8KMT2ATSHRMAPK1ALDH1A1
SCHEMBL31632660 0.67 IRAK4 (0.55) KMT2ATSHRALDH1A1SLC6A2MAPT

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