SCHEMBL93030

SCHEMBL93030

COC(CNC(=S)NCCCNC(=O)C(C)C)OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.34
KDM1A O60341 5/20 0.34
MAOB P27338 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX1 P07099 1/20 0.32
NPC1 O15118 1/20 0.31
ALOX12 P18054 1/20 0.31
RAB9A P51151 1/20 0.31
NQO2 P16083 2/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL5666441 0.79 SMN1; SMN2 (0.42) KMT2ACYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL80630 0.79 ALDH1A1 (0.36) KMT2ASMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL22917014 0.75 KMT2A (0.57) KMT2ACYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL861034 0.71 KMT2A (0.57) KMT2ACYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL23839910 0.69 ALDH1A1 (0.58) KMT2ACYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL23188735 0.69 ALDH1A1 (0.58) KMT2ACYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL17777241 0.69 ALDH1A1 (0.58) KMT2ACYP2D6CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5663344 0.69 LMNA (0.41) KMT2ASMN1; SMN2LMNAMEN1TDP1
SCHEMBL10509488 0.69 ALDH1A1 (0.42) KMT2ASMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL13668152 0.69 KMT2A (0.57) KMT2ACYP2D6CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129159-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2012-03-06 US disclosed
US-20110009292-A1 ATTACHMENT OF MOLECULES TO SURFACES SURMODICS, INC. (US) 2011-01-13 US disclosed
US-7829317-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2010-11-09 US disclosed
US-20090042742-A1 Attachment of molecules to surfaces SURMODICS, INC. (US) 2009-02-12 US disclosed
US-7309593-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2007-12-18 US disclosed