SCHEMBL13816971

SCHEMBL13816971

CCOC(=O)C(C)c1csc(NC(=O)Nc2ccc(C)cc2C(=O)C2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SHMT2 P34897 1/20 0.36
PTPN1 P18031 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 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
SCHEMBL2666157 0.91 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL1340298 0.91 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL12131724 0.91 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL1341594 0.87 RAB9A (0.42) SMN1; SMN2KMT2ARAB9AHTTGAA
SCHEMBL1339607 0.85 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AALDH1A1TDP1LMNA
SCHEMBL1338734 0.84 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1TDP1
SCHEMBL1340036 0.83 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AALDH1A1TDP1
SCHEMBL1345539 0.83 PDE5A (0.36) SMN1; SMN2KMT2ARAB9AHTTGAA
SCHEMBL1340220 0.83 RAB9A (0.56) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL1340175 0.82 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1

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
US-RE45670-E1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2015-09-15 US disclosed
US-7541373-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2009-06-02 US disclosed
US-7541373-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2009-06-02 US disclosed