SCHEMBL532878

SCHEMBL532878

CCCc1ccc(S(=O)(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.60
MAPT P10636 3/20 0.46
ATM Q13315 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR6 P50406 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL533507 0.93 FFAR4 (0.51) FFAR4MAPTATMDRD2DRD3
SCHEMBL533020 0.91 KMT2A (0.51) FFAR4MAPTMEN1KMT2AALDH1A1
SCHEMBL533123 0.87 FFAR4 (0.42) FFAR4MAPTMEN1KMT2AALDH1A1
SCHEMBL533017 0.85 FFAR4 (0.55) FFAR4MAPTMEN1KMT2AALDH1A1
SCHEMBL532880 0.83 FFAR4 (0.56) FFAR4MAPTMEN1KMT2AALDH1A1
SCHEMBL533437 0.83 CYTH2 (0.49) FFAR4MAPTMEN1KMT2AALDH1A1
SCHEMBL533666 0.83 FFAR4 (0.56) FFAR4MAPTMEN1KMT2AALDH1A1
SCHEMBL533055 0.83 ALDH1A1 (0.45) FFAR4MAPTMEN1KMT2AALDH1A1
SCHEMBL532776 0.83 FFAR4 (0.54) FFAR4MAPTMEN1KMT2AALDH1A1
SCHEMBL533091 0.81 BRPF1 (0.52) MAPTMEN1KMT2AALDH1A1CYP1A2

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