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
SCHEMBL533666 0.90 FFAR4 (0.56) FFAR4MAPTALDH1A1RECQLTP53
SCHEMBL533055 0.90 ALDH1A1 (0.45) FFAR4MAPTALDH1A1RECQLSMN1; SMN2
SCHEMBL532880 0.90 FFAR4 (0.56) FFAR4MAPTALDH1A1RECQLHSD17B10
SCHEMBL533437 0.90 CYTH2 (0.49) FFAR4MAPTALDH1A1RECQLCYTH2
SCHEMBL532776 0.89 FFAR4 (0.54) FFAR4MAPTALDH1A1RECQLCYTH2
SCHEMBL534044 0.88 MAPT (0.43) FFAR4MAPTALDH1A1RECQLCYTH2
SCHEMBL534816 0.87 MAPT (0.41) FFAR4MAPTALDH1A1RECQLCYTH2
SCHEMBL534077 0.87 TSHR (0.47) FFAR4MAPTALDH1A1RECQLCYTH2
SCHEMBL532953 0.87 FFAR4 (0.59) FFAR4MAPTALDH1A1CYTH2SMN1; SMN2
SCHEMBL533020 0.87 KMT2A (0.51) FFAR4MAPTALDH1A1RECQLSMN1; SMN2

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
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