SCHEMBL533059

SCHEMBL533059

Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GAA P10253 1/20 0.55
FFAR4 Q5NUL3 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GFER P55789 3/20 0.44
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
ING2 Q9H160 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL533437 0.86 CYTH2 (0.49) MEN1KMT2AGAAFFAR4ALDH1A1
SCHEMBL532776 0.86 FFAR4 (0.54) MEN1KMT2AGAAFFAR4ALDH1A1
SCHEMBL533017 0.86 FFAR4 (0.55) MEN1KMT2AGAAFFAR4ALDH1A1
SCHEMBL534077 0.84 TSHR (0.47) MEN1KMT2AGAAFFAR4ALDH1A1
SCHEMBL533055 0.84 ALDH1A1 (0.45) MEN1KMT2AFFAR4ALDH1A1KDM4E
SCHEMBL533666 0.84 FFAR4 (0.56) MEN1KMT2AGAAFFAR4ALDH1A1
SCHEMBL532880 0.84 FFAR4 (0.56) MEN1KMT2AGAAFFAR4ALDH1A1
SCHEMBL532040 0.84 GFER (0.61) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL532953 0.82 FFAR4 (0.59) MEN1KMT2AFFAR4ALDH1A1MAPT
SCHEMBL533091 0.82 BRPF1 (0.52) MEN1KMT2AGAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed