SCHEMBL6597984

SCHEMBL6597984

O=C(C[n+]1cccc(-c2cc(Cc3ccccc3)n[nH]2)c1)NC1CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
BRD4 O60885 3/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM5A P29375 1/20 0.35
ENPP2 Q13822 1/20 0.35
HSP90AA1 P07900 1/20 0.34

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
Hydrochloric Acid SCHEMBL1194003 0.99 MAPK8 (0.39) MAPK8BRD4MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6597610 0.94 MAPK8 (0.36) MAPK8BRD4MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL27534077 0.90 MLLT1 (0.37) MAPK8ALDH1A1KMT2AROCK2ROCK1
SCHEMBL6598655 0.86 MEN1 (0.38) MAPK8MEN1ALDH1A1KMT2AKDM5A
Hydrochloric Acid SCHEMBL5358894 0.85 MEN1 (0.38) MAPK8MEN1ALDH1A1KMT2AROCK2
SCHEMBL6598432 0.83 KMT2A (0.43) MEN1ALDH1A1KMT2AEPHX2GAA
SCHEMBL14313591 0.82 MAPK8 (0.47) MAPK8MEN1ALDH1A1KMT2AKDM5B
Hydrochloric Acid SCHEMBL1194824 0.82 ALDH1A1 (0.42) MEN1ALDH1A1KMT2AEPHX2GAA
SCHEMBL6596014 0.82 KMT2A (0.47) MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7070348 0.82 HSP90AA1 (0.44) ALDH1A1KMT2AHSP90AA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373263-B1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS TORRENT PHARMACEUTICALS LTD (IN) 2004-10-27 EP claimed