SCHEMBL4005231

SCHEMBL4005231

CC1(C(=O)NC2CCCN(S(=O)(=O)c3ccccc3)C2)CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 2/20 0.53
USP2 O75604 2/20 0.53
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
EPHX2 P34913 1/20 0.51
CYP2C19 P33261 1/20 0.48
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL4005226 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1USP2LMNASMN1; SMN2
SCHEMBL610125 0.84 ALDH1A1 (0.61) ALDH1A1MAPK1LMNASMN1; SMN2EPHX2
SCHEMBL4003536 0.82 ALDH1A1 (0.64) ALDH1A1MAPK1USP2LMNASMN1; SMN2
SCHEMBL4003532 0.82 ALDH1A1 (0.64) ALDH1A1MAPK1USP2LMNASMN1; SMN2
SCHEMBL5950699 0.81 HSD11B1 (0.68) EPHX2
SCHEMBL4966359 0.80 ALDH1A1 (0.67) ALDH1A1MAPK1USP2LMNASMN1; SMN2
SCHEMBL4966350 0.80 ALDH1A1 (0.67) ALDH1A1MAPK1USP2LMNASMN1; SMN2
SCHEMBL4298026 0.79 CNR1 (0.54) ALDH1A1MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL4298031 0.79 CNR1 (0.54) ALDH1A1MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL4005679 0.79 EPHX2 (0.76) ALDH1A1LMNASMN1; SMN2EPHX2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed