SCHEMBL533123

SCHEMBL533123

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.42
NMT1 P30419 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MCOLN2 Q8IZK6 1/20 0.39
BRPF1 P55201 1/20 0.39
CA9 Q16790 1/20 0.38
KMO O15229 1/20 0.38
HTR6 P50406 1/20 0.38
POLB P06746 1/20 0.38
CYTH2 Q99418 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL533006 0.90 HTR6 (0.43) FFAR4NMT1MAPTALDH1A1RECQL
SCHEMBL533020 0.89 KMT2A (0.51) FFAR4MAPTALDH1A1RECQLMEN1
SCHEMBL532878 0.87 FFAR4 (0.60) FFAR4NMT1MAPTALDH1A1RECQL
SCHEMBL533055 0.86 ALDH1A1 (0.45) FFAR4MAPTALDH1A1RECQLMEN1
SCHEMBL533017 0.86 FFAR4 (0.55) FFAR4MAPTALDH1A1RECQLMEN1
SCHEMBL533507 0.85 FFAR4 (0.51) FFAR4NMT1MAPTHTR6POLB
SCHEMBL532880 0.84 FFAR4 (0.56) FFAR4MAPTALDH1A1RECQLMEN1
SCHEMBL533437 0.84 CYTH2 (0.49) FFAR4MAPTALDH1A1RECQLMEN1
SCHEMBL533666 0.84 FFAR4 (0.56) FFAR4MAPTALDH1A1RECQLMEN1
SCHEMBL532776 0.84 FFAR4 (0.54) FFAR4MAPTALDH1A1RECQLMEN1

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