SCHEMBL2000794

SCHEMBL2000794

C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)C[C@@](C)(C(C)(C)C)N1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 3/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NAMPT P43490 3/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 3/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CHRM4 P08173 1/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 2/20 0.34
CYP26A1 O43174 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34

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
SCHEMBL1997143 0.87 MLNR (0.64) MLNRMEN1KMT2ANPC1MAPT
SCHEMBL1996929 0.84 KDM4E (0.46) MLNRKDM4EMEN1KMT2ANAMPT
SCHEMBL2849534 0.82 MLNR (0.52) MLNRKDM4EMEN1KMT2ANAMPT
SCHEMBL2849498 0.80 MLNR (0.51) MLNRKDM4EMEN1KMT2AMAPK1
SCHEMBL377505 0.79 MLNR (0.36) MLNRKDM4ENPC1MAPTRAB9A
SCHEMBL2000792 0.78 KDM4E (0.48) MLNRKDM4EMEN1KMT2AMAPK1
SCHEMBL1996928 0.76 GPR119 (0.49) MLNRKDM4ECHRM4
SCHEMBL377570 0.75 SIGMAR1 (0.37) MLNRLMNAALDH1A1
SCHEMBL1703946 0.75 ALDH1A1 (0.38) KDM4EMEN1KMT2AMAPK1LMNA
SCHEMBL377560 0.74 KDM4E (0.45) KDM4EMAPK1LMNANPC1RAB9A

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