SCHEMBL7140338

SCHEMBL7140338

CC(C)(C)NC(=S)NC(CO)CCCCNC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
QPCT Q16769 1/20 0.34
SIRT5 Q9NXA8 3/20 0.34
EPHX1 P07099 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.31
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 0.30
EPHX2 P34913 1/20 0.30
FOLH1 Q04609 1/20 0.30

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
SCHEMBL6190954 1.00 HDAC4 (0.36) HDAC4HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL6192794 0.96 NPC1 (0.36) HDAC4HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL25224563 0.78 FOLH1 (0.34) SMN1; SMN2SIRT5EPHX1MEN1KMT2A
SCHEMBL20358313 0.78 FOLH1 (0.34) SMN1; SMN2SIRT5EPHX1MEN1KMT2A
SCHEMBL6209427 0.77 MEN1 (0.40) HDAC4HDAC1NPC1RAB9AQPCT
SCHEMBL6209428 0.77 MEN1 (0.40) HDAC4HDAC1NPC1RAB9AQPCT
SCHEMBL4811672 0.76 MEN1 (0.50) SIRT5MEN1KMT2AGAA
SCHEMBL6211331 0.75 MEN1 (0.52) HDAC4HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL6747808 0.75 FOLH1 (0.52) NPC1RAB9ASMN1; SMN2FOLH1
SCHEMBL18063326 0.73 MEN1 (0.33) MEN1KMT2AGAAEPHX2

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-1299365-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
US-6451821-B1 ADMINISTERING TO A PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF 2-AMINOTHIAZOLINE DERIVATIVES FOR TREATING OR PREVENTING DISEASE CONDITIONS ASSOCIATED WITH AN ABNORMAL PRODUCTION OF NITRIC OXIDE(NO) AVENTIS PHARMA S.A. (FR) 2002-09-17 US disclosed
WO-2001094325-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 WO disclosed