SCHEMBL4003536

SCHEMBL4003536

O=C(NC1CCCN(S(=O)(=O)c2ccccc2)C1)C1(c2ccc(Cl)cc2)CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
DPP4 P27487 1/20 0.49
CCR1 P32246 1/20 0.48
HSD11B1 P28845 7/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.47
CCR8 P51685 1/20 0.45

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
SCHEMBL4003532 1.00 ALDH1A1 (0.64) ALDH1A1DPP4CCR1HSD11B1USP2
SCHEMBL4966350 0.96 ALDH1A1 (0.67) ALDH1A1DPP4CCR1HSD11B1USP2
SCHEMBL4966359 0.96 ALDH1A1 (0.67) ALDH1A1DPP4CCR1HSD11B1USP2
SCHEMBL4962889 0.90 ALDH1A1 (0.63) ALDH1A1CCR1HSD11B1
SCHEMBL4971027 0.90 ALDH1A1 (0.63) ALDH1A1CCR1HSD11B1
SCHEMBL4962896 0.90 ALDH1A1 (0.63) ALDH1A1CCR1HSD11B1
SCHEMBL4005226 0.82 ALDH1A1 (0.58) ALDH1A1USP2MAPK1LMNASMN1; SMN2
SCHEMBL4005231 0.82 ALDH1A1 (0.58) ALDH1A1USP2MAPK1LMNASMN1; SMN2
SCHEMBL5950753 0.82 HSD11B1 (0.62) ALDH1A1CCR1HSD11B1
SCHEMBL4004701 0.81 HSD11B1 (0.56) ALDH1A1HSD11B1CCR8

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-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