SCHEMBL534816

SCHEMBL534816

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
TRIM24 O15164 1/20 0.41
BRD1 O95696 1/20 0.41
BRPF1 P55201 1/20 0.41
FFAR4 Q5NUL3 5/20 0.41
MCOLN2 Q8IZK6 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR6 P50406 1/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC2A1 P11166 1/20 0.40
TP53 P04637 1/20 0.40
CCR2 P41597 1/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
CYTH2 Q99418 1/20 0.38

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
SCHEMBL533055 0.88 ALDH1A1 (0.45) MAPTALDH1A1RECQLFFAR4KDM4E
SCHEMBL532880 0.88 FFAR4 (0.56) MAPTALDH1A1RECQLFFAR4MCOLN2
SCHEMBL533017 0.87 FFAR4 (0.55) MAPTALDH1A1RECQLFFAR4KDM4E
SCHEMBL533437 0.85 CYTH2 (0.49) MAPTALDH1A1RECQLFFAR4KDM4E
SCHEMBL533666 0.85 FFAR4 (0.56) MAPTALDH1A1RECQLFFAR4POLB
SCHEMBL532776 0.85 FFAR4 (0.54) MAPTALDH1A1RECQLFFAR4POLB
SCHEMBL533091 0.83 BRPF1 (0.52) MAPTALDH1A1RECQLBRPF1KDM4E
SCHEMBL532953 0.83 FFAR4 (0.59) MAPTALDH1A1FFAR4SMN1; SMN2KMT2A
SCHEMBL534077 0.83 TSHR (0.47) MAPTALDH1A1RECQLFFAR4POLB
SCHEMBL533020 0.83 KMT2A (0.51) MAPTALDH1A1RECQLBRPF1FFAR4

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