SCHEMBL4006918

SCHEMBL4006918

Cc1ccc(S(=O)(=O)[C@@]2(NC(=O)C3CCCCC3)CCCNC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 2/20 0.44
EPHX2 P34913 1/20 0.44
ENPP3 O14638 2/20 0.43
ENPP1 P22413 2/20 0.43
ENPP2 Q13822 2/20 0.43
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4004677 0.89 KMT2A (0.47) ALDH1A1LMNAEPHX2ENPP3ENPP1
SCHEMBL4006598 0.89 NPSR1 (0.41) ALDH1A1LMNAKMT2AGAAHPGD
SCHEMBL4004804 0.89 KMT2A (0.47) ALDH1A1LMNAEPHX2ENPP3ENPP1
SCHEMBL4006094 0.88 EPHX2 (0.47) ALDH1A1POLBEPHX2HPGDTSHR
SCHEMBL4001738 0.88 EPHX2 (0.47) ALDH1A1LMNAEPHX2ENPP3ENPP1
SCHEMBL4006510 0.88 EPHX2 (0.47) ALDH1A1POLBTP53LMNAEPHX2
SCHEMBL4002524 0.87 EPHX2 (0.48) ALDH1A1TP53LMNAEPHX2KMT2A
SCHEMBL4009286 0.87 POLB (0.46) ALDH1A1POLBTP53LMNAENPP3
SCHEMBL4307013 0.84 MMP2 (0.39) ALDH1A1LMNAKMT2ANPSR1TSHR
SCHEMBL4003899 0.83 EPHX2 (0.49) ALDH1A1LMNAEPHX2KMT2AGAA

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 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