SCHEMBL534044

SCHEMBL534044

Cc1cc(C)cc(S(=O)(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FFAR4 Q5NUL3 10/20 0.42
RECQL P46063 1/20 0.40
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
CYTH2 Q99418 1/20 0.36
TP53 P04637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL533017 0.88 FFAR4 (0.55) MAPTALDH1A1POLBSMN1; SMN2FFAR4
SCHEMBL534045 0.87 TP53 (0.48) MAPTALDH1A1POLBSMN1; SMN2HTT
SCHEMBL532991 0.86 MAPT (0.47) MAPTALDH1A1POLBSMN1; SMN2HTT
SCHEMBL533055 0.85 ALDH1A1 (0.45) MAPTALDH1A1POLBSMN1; SMN2FFAR4
SCHEMBL532776 0.85 FFAR4 (0.54) MAPTALDH1A1POLBFFAR4RECQL
SCHEMBL532881 0.83 GAA (0.39) MAPTALDH1A1POLBSMN1; SMN2HTT
SCHEMBL532880 0.83 FFAR4 (0.56) MAPTALDH1A1POLBSMN1; SMN2HTT
SCHEMBL533437 0.83 CYTH2 (0.49) MAPTALDH1A1POLBSMN1; SMN2HTT
SCHEMBL533666 0.83 FFAR4 (0.56) MAPTALDH1A1POLBHTTFFAR4
SCHEMBL532953 0.81 FFAR4 (0.59) MAPTALDH1A1SMN1; SMN2FFAR4GABRG2

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