SCHEMBL3956384

SCHEMBL3956384

CC(C)(C)N(CCCC(NC(=S)Nc1ccccc1)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(N)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
MME P08473 4/20 0.39
ACE P12821 4/20 0.39
ACE2 Q9BYF1 4/20 0.39
CPA1 P15085 3/20 0.39
GAA P10253 1/20 0.39
ERAP2 Q6P179 4/20 0.38
LNPEP Q9UIQ6 4/20 0.38
CTSL P07711 1/20 0.37
ERAP1 Q9NZ08 2/20 0.37
PTPN1 P18031 1/20 0.37
QRFPR Q96P65 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
SCHEMBL3956382 1.00 KMT2A (0.41) KMT2ACA1CA2NPFFR1NPFFR2
SCHEMBL1259646 0.85 KMT2A (0.46) KMT2ACA1CA2GAAERAP2
SCHEMBL1259649 0.85 KMT2A (0.46) KMT2ACA1CA2GAAERAP2
SCHEMBL1259326 0.83 KMT2A (0.43) KMT2ACA1CA2GAAERAP2
SCHEMBL1259321 0.83 KMT2A (0.43) KMT2ACA1CA2GAAERAP2
SCHEMBL1259391 0.83 KMT2A (0.43) KMT2ACA1CA2GAAERAP2
SCHEMBL1259097 0.83 MME (0.44) MMEACEACE2CPA1ERAP2
SCHEMBL1259095 0.83 MME (0.44) MMEACEACE2CPA1ERAP2
SCHEMBL30317813 0.75 CA1 (0.63) KMT2ACA1CA2GAA
SCHEMBL3889588 0.74 KMT2A (0.41) KMT2ACA1CA2GAA

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
WO-2009137133-A2 5-SUBSTITUTED-2-IMINO-THIAZOLIDINONE COMPOUNDS AND THEIR USE AS INHIBITORS OF BACTERIAL INFECTION UNIVERSITY OF WASHINGTON (US) 2009-11-12 WO disclosed