SCHEMBL2003107

SCHEMBL2003107

CC(C)(C)[C@@]1(C)CN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2C(F)(F)F)CCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.47
RET P07949 3/20 0.39
KDR P35968 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MKNK2 Q9HBH9 5/20 0.37
ABL1 P00519 3/20 0.37
BCR P11274 3/20 0.37
MKNK1 Q9BUB5 3/20 0.37
FGFR4 P22455 3/20 0.37
CYP3A4 P08684 1/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
EGFR P00533 1/20 0.36
BRAF P15056 1/20 0.36
KIT P10721 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
FGFR2 P21802 1/20 0.36
FLT3 P36888 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL1998238 0.91 MLNR (0.42) MLNRKDM4E
SCHEMBL2003110 0.88 MLNR (0.63) MLNRRETKDRMKNK2ABL1
SCHEMBL1996929 0.87 KDM4E (0.46) MLNRKDM4E
SCHEMBL2849665 0.81 MLNR (0.55) MLNRRETKDRKDM4EABL1
SCHEMBL1999248 0.79 MLNR (0.60) MLNRRETKDRKDM4E
SCHEMBL2003105 0.77 MLNR (0.52) MLNRKDM4E
SCHEMBL2003279 0.77 PRKAA2 (0.46) MLNRKDM4E
SCHEMBL1999431 0.76 ALDH1A1 (0.34) KDM4E
SCHEMBL1998344 0.76 MLNR (0.44) MLNRKDM4E
SCHEMBL1995199 0.76 MLNR (0.58) MLNRKDM4E

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