SCHEMBL8320623

SCHEMBL8320623

Cc1cc(C)c(N2CCCC2)c(C)c1NS(=O)(=O)c1ccc(C2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.48
HTT P42858 4/20 0.47
LMNA P02545 7/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
ATM Q13315 1/20 0.46
XBP1 P17861 1/20 0.46
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
TRIM24 O15164 2/20 0.42
RECQL P46063 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 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
SCHEMBL533017 0.86 FFAR4 (0.55) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL533055 0.84 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2KDM4ERECQL
SCHEMBL533437 0.84 CYTH2 (0.49) HTTLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL532880 0.84 FFAR4 (0.56) HTTLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL533666 0.84 FFAR4 (0.56) HTTLMNAALDH1A1MAPTTP53
SCHEMBL532776 0.84 FFAR4 (0.54) LMNAALDH1A1MAPTTP53RECQL
SCHEMBL533091 0.82 BRPF1 (0.52) BRPF1LMNAALDH1A1MAPTTP53
SCHEMBL534816 0.82 MAPT (0.41) BRPF1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL532953 0.82 FFAR4 (0.59) ALDH1A1MAPTSMN1; SMN2FFAR4MEN1
SCHEMBL534077 0.82 TSHR (0.47) LMNAALDH1A1MAPTTP53RECQL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 WO disclosed