SCHEMBL533017

SCHEMBL533017

Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.55
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
RECQL P46063 1/20 0.54
CYTH2 Q99418 1/20 0.51
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMO O15229 3/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL532880 0.90 FFAR4 (0.56) FFAR4MAPTALDH1A1RECQLHSD17B10
SCHEMBL533055 0.90 ALDH1A1 (0.45) FFAR4MAPTALDH1A1RECQLSMN1; SMN2
SCHEMBL533437 0.90 CYTH2 (0.49) FFAR4MAPTALDH1A1RECQLCYTH2
SCHEMBL533666 0.90 FFAR4 (0.56) FFAR4MAPTALDH1A1RECQLTP53
SCHEMBL532776 0.89 FFAR4 (0.54) FFAR4MAPTALDH1A1RECQLCYTH2
SCHEMBL534044 0.88 MAPT (0.43) FFAR4MAPTALDH1A1RECQLCYTH2
SCHEMBL532953 0.87 FFAR4 (0.59) FFAR4MAPTALDH1A1CYTH2SMN1; SMN2
SCHEMBL534816 0.87 MAPT (0.41) FFAR4MAPTALDH1A1RECQLCYTH2
SCHEMBL534077 0.87 TSHR (0.47) FFAR4MAPTALDH1A1RECQLCYTH2
SCHEMBL533091 0.87 BRPF1 (0.52) MAPTALDH1A1RECQLTP53KMT2A

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