SCHEMBL6169697

SCHEMBL6169697

O=C(SCC(Cc1ccccc1)C(=O)Nc1ccc(-c2cncnc2)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
HDAC8 Q9BY41 4/20 0.40
PPARG P37231 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
ABL1 P00519 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
SCHEMBL6163974 0.90 MMP12 (0.46) ROCK2ROCK1HDAC8SMN1; SMN2CTSL
SCHEMBL6166677 0.85 PPARG (0.44) ROCK2ROCK1PPARG
SCHEMBL10438783 0.83 SMN1; SMN2 (0.48) SMN1; SMN2
SCHEMBL6168939 0.83 TRPV1 (0.44) PPARG
SCHEMBL6169635 0.82 MME (0.50)
SCHEMBL6167624 0.81 HDAC2 (0.42) HDAC8
SCHEMBL6165947 0.80 TAAR1 (0.49) SMN1; SMN2
SCHEMBL6167455 0.80 HPGDS (0.47) PPARG
SCHEMBL6160300 0.80 TP53 (0.48) PPARGCTSLCTSS
SCHEMBL6165955 0.80 TP53 (0.48) PPARGCTSLCTSS

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-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP claimed