SCHEMBL2300359

SCHEMBL2300359

CCCCCCCc1ccc(-c2cc(N3CCNC3=O)ccc2S(N)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
S1PR1 P21453 3/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
RARB P10826 2/20 0.38
GPR84 Q9NQS5 1/20 0.37
PDPK1 O15530 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2301951 0.99 CA2 (0.41) CA2CA12CA1CA9S1PR1
SCHEMBL2301170 0.96 CA2 (0.40) CA2CA12CA1CA9S1PR1
SCHEMBL2299463 0.85 CA12 (0.41) CA2CA12CA1CA9GPR84
SCHEMBL2237662 0.82 PTGS2 (0.37) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL2303830 0.81 LMNA (0.35) CA2CA1S1PR1MGLLMEN1
SCHEMBL2304022 0.81 L3MBTL1 (0.37) MEN1ALDH1A1KMT2ATSHR
SCHEMBL2301215 0.80 CA2 (0.37) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL2299883 0.79 EIF2AK2 (0.41) CA2CA12CA1CA9
SCHEMBL2301153 0.79 CA1 (0.43) CA2CA12CA1CA9MAPT
SCHEMBL2304629 0.75 CA1 (0.47) CA2CA1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536693-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS Université Laval (CA) 2012-12-26 EP disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO disclosed