SCHEMBL1998242

SCHEMBL1998242

Cc1cc(NS(=O)(=O)c2cncc(-c3ccc(F)cc3)c2)ccc1CN1CCN(C(=O)O)[C@@](C)(C(C)(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 3/20 0.60
PIK3C3 Q8NEB9 2/20 0.34
PRKAA2 P54646 1/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PAX8 Q06710 1/20 0.33
MAPT P10636 1/20 0.33
UBE2N P61088 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL1999248 0.88 MLNR (0.60) MLNRRETKDRKDM4EKMT2A
SCHEMBL2002475 0.87 MLNR (0.43) MLNRMAPTKMT2AUSP2ALDH1A1
SCHEMBL1998238 0.81 MLNR (0.42) MLNRKDM4EMAPTKMT2ATDP1
SCHEMBL2853558 0.80 MLNR (0.72) MLNRPIK3C3KCNH2RORC
SCHEMBL2003110 0.80 MLNR (0.63) MLNRRETKDRMAPTKMT2A
SCHEMBL1997046 0.79 MEN1 (0.48) MLNRKDM4EMAPTKMT2AUSP2
SCHEMBL1998239 0.77 MLNR (0.67) MLNRKCNH2RORCSETD7
SCHEMBL377621 0.76 CNR2 (0.36) RETKDRKDM4ETDP1ALDH1A1
SCHEMBL1995199 0.76 MLNR (0.58) MLNRPRKAA2KDM4EMAPTKMT2A
SCHEMBL2004331 0.75 MLNR (1.00) MLNR

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-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed