SCHEMBL3889575

SCHEMBL3889575

C[C@@H](C=O)N(N)C(=O)[C@H](CCCN(C(=O)O)C(C)(C)C)NC(=S)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
GAA P10253 5/20 0.40
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
CAPN1 P07384 1/20 0.35
CA1 P00915 9/20 0.35
CA2 P00918 9/20 0.35
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3889588 1.00 KMT2A (0.41) KMT2AGAALMNAHPGDSMN1; SMN2
SCHEMBL1259649 0.80 KMT2A (0.46) KMT2AGAALMNAHPGDSMN1; SMN2
SCHEMBL1259646 0.80 KMT2A (0.46) KMT2AGAALMNAHPGDSMN1; SMN2
SCHEMBL1259391 0.78 KMT2A (0.43) KMT2AGAALMNAHPGDSMN1; SMN2
SCHEMBL1259326 0.78 KMT2A (0.43) KMT2AGAALMNAHPGDSMN1; SMN2
SCHEMBL1259321 0.78 KMT2A (0.43) KMT2AGAALMNAHPGDSMN1; SMN2
SCHEMBL3956384 0.74 KMT2A (0.41) KMT2AGAACA1CA2
SCHEMBL3956382 0.74 KMT2A (0.41) KMT2AGAACA1CA2
SCHEMBL3893609 0.73 NOS3 (0.32)
SCHEMBL3893611 0.73 NOS3 (0.32)

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