SCHEMBL7866973

SCHEMBL7866973

CC(C)(C)OC(=O)CCSc1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
ALDH1A1 P00352 3/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
PTPN1 P18031 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL7862173 0.82 KMT2A (0.62) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL12470718 0.77 ALDH1A1 (0.60) KDM4ERAB9ANPC1ALDH1A1ATM
SCHEMBL7868817 0.77 PRMT1 (0.53) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL7874063 0.76 NPC1 (0.45) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL7868844 0.76 HSP90AA1 (0.48) KMT2AKDM4ERAB9ANPC1ALDH1A1
SCHEMBL13969434 0.76 RAB9A (0.70) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL2062613 0.76 NAMPT (0.67) KMT2AMEN1KDM4ERAB9ANPC1
SCHEMBL7016547 0.74 HSP90AA1 (0.50) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL7862203 0.74 PKM (0.44) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL7874020 0.74 MEN1 (0.58) KMT2AMEN1KDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed