SCHEMBL6595239

SCHEMBL6595239

Cc1cc(C)n(Cc2cc(-c3ccc[n+](CC(=O)NC4CC4)c3)[nH]n2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.35
CRHR1 P34998 3/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTGER1 P34995 1/20 0.33
THRB P10828 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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
Bromide SCHEMBL5359685 0.99 SMYD3 (0.35) SMYD3CRHR1MAPTGFERSMN1; SMN2
SCHEMBL6596459 0.83 KMT2A (0.45) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1193919 0.82 KMT2A (0.44) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6596219 0.80 MAPT (0.35) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6598839 0.79 HTT (0.35) SMN1; SMN2THRBMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1193715 0.79 MAPT (0.34) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6597984 0.79 MAPK8 (0.39) ROCK2ROCK1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5361934 0.79 HTT (0.35) SMN1; SMN2THRBMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1194003 0.78 MAPK8 (0.39) ROCK2ROCK1MEN1KMT2AALDH1A1
SCHEMBL6598655 0.77 MEN1 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A

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