SCHEMBL532991

SCHEMBL532991

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
CYTH2 Q99418 1/20 0.43
EDNRA P25101 1/20 0.42
CYP3A4 P08684 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL534044 0.86 MAPT (0.43) MAPTALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL532932 0.82 POLB (0.44) MAPTALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL533017 0.82 FFAR4 (0.55) MAPTALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL533460 0.80 ALDH1A1 (0.42) MAPTALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL532776 0.80 FFAR4 (0.54) MAPTALDH1A1POLBLMNATP53
SCHEMBL534045 0.79 TP53 (0.48) MAPTALDH1A1POLBSMN1; SMN2HTT
SCHEMBL532980 0.78 JAK2 (0.48) MAPTALDH1A1POLBSMN1; SMN2HTT
SCHEMBL533091 0.78 BRPF1 (0.52) MAPTALDH1A1LMNATP53CYP3A4
SCHEMBL534062 0.78 ERAP1 (0.52) ALDH1A1NPSR1SMN1; SMN2LMNATP53
SCHEMBL532880 0.77 FFAR4 (0.56) MAPTALDH1A1POLBSMN1; SMN2HTT

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