SCHEMBL7652325

SCHEMBL7652325

CC(C)c1ccc(-c2nc(Cl)c(C=O)n2Cc2ccc(-c3ccccc3S(=O)(=O)NCN(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAS1 P04201 1/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AGTR2 P50052 1/20 0.38
EDNRA P25101 1/20 0.37

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
SCHEMBL7614739 0.93 AGTR2 (0.41) MAS1AGTR2EDNRA
SCHEMBL7648006 0.85 MAS1 (0.39) MAS1TP53GAAMAPTSMN1; SMN2
SCHEMBL7648058 0.85 TP53 (0.42) MAS1TP53GAAMAPTSMN1; SMN2
SCHEMBL7652319 0.83 TP53 (0.38) MAS1TP53GAAMAPTSMN1; SMN2
SCHEMBL7652327 0.83 TP53 (0.38) MAS1TP53GAAMAPTSMN1; SMN2
SCHEMBL7611018 0.81 GP6 (0.58) AGTR2EDNRA
SCHEMBL7614979 0.77 AGTR2 (0.41) MAS1AGTR2EDNRA
SCHEMBL7616661 0.76 AGTR2 (0.38) AGTR2EDNRA
SCHEMBL7609835 0.76 GP6 (0.42) MAS1SMN1; SMN2AGTR2
SCHEMBL7616577 0.76 EDNRA (0.43) AGTR2EDNRA

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
US-6369236-B1 DRUG FOR MEDICAL DIAGNOSIS ANTIARRHYTHMIC PROPRIETIES AND CONTAIN A CARDIOPROTECTIVE COMPOUND. THEY CAN PREVENTIVELY INHIBIT OR STRONGLY REDUCE PATHOPHYSIOLOGIC PROCESSES UPON OCCURRENCE OF ISCHEMIC INJURIES, ESPECIALLY ISCHEMIC CARDIAC AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed