SCHEMBL17090474

SCHEMBL17090474

C[C@@H]1CN(S(=O)(=O)c2cccc(NCc3ccc(NS(=O)(=O)C(C)(C)C)cc3)c2)C[C@H](C)O1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.42
DDIT3 P35638 1/20 0.41
USP2 O75604 1/20 0.41
CYP2C9 P11712 1/20 0.41
NAMPT P43490 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL13564994 1.00 LMNA (0.46) LMNATDP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL17090551 0.89 DDIT3 (0.49) LMNAALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL13565262 0.89 DDIT3 (0.49) LMNAALDH1A1SMN1; SMN2GAARXFP1
SCHEMBL17090098 0.86 LMNA (0.46) LMNATDP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13566055 0.85 TDP1 (0.50) LMNATDP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11940095 0.84 GHSR (0.40) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL11935854 0.84 GHSR (0.40) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL17090486 0.84 ALDH1A1 (0.52) LMNAALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL10116233 0.82 RXFP1 (0.66) LMNAALDH1A1SMN1; SMN2TP53GAA
SCHEMBL10134521 0.82 RXFP1 (0.66) LMNAALDH1A1SMN1; SMN2TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed