SCHEMBL14999964

SCHEMBL14999964

CCN(CC)C(=O)C(CCCc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.47
ACACB O00763 1/20 0.42
LARS1 Q9P2J5 1/20 0.41
BCL2 P10415 4/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ADAMTS4 O75173 1/20 0.39
RORC P51449 1/20 0.38
TPSAB1 Q15661 2/20 0.37
DRD2 P14416 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PSMB5 P28074 1/20 0.37
MCL1 Q07820 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL3092400 0.91 KAT6A (0.50) KAT6AACACBLARS1BCL2KDM4E
SCHEMBL3092758 0.89 KAT6A (0.47) KAT6AACACBLARS1BCL2KDM4E
SCHEMBL15000148 0.88 LARS1 (0.45) LARS1KDM4EALDH1A1KMT2ATPSAB1
SCHEMBL3084604 0.86 LMNA (0.44) KAT6ALARS1KDM4E
SCHEMBL15000037 0.83 LARS1 (0.49) LARS1KDM4EALDH1A1KMT2ATPSAB1
SCHEMBL3093062 0.83 NPC1 (0.48) LARS1KDM4E
SCHEMBL3091266 0.81 LMNA (0.44) KAT6ALARS1KDM4EKMT2A
SCHEMBL14999941 0.80 LARS1 (0.53) KAT6ALARS1KDM4EALDH1A1KMT2A
SCHEMBL3088704 0.80 LARS1 (0.40) KAT6ALARS1KDM4EALDH1A1KMT2A
SCHEMBL3089105 0.80 LARS1 (0.40) KAT6ALARS1KDM4EALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed