SCHEMBL5504040

SCHEMBL5504040

O=S(=O)(NOCC1CCCCC1)c1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
EPHX2 P34913 1/20 0.39
PLCG1 P19174 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KAT6A Q92794 1/20 0.38
POLB P06746 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL13045357 0.79 KMT2A (0.62) MAPTEPHX2ALDH1A1CA1CA2
SCHEMBL7702998 0.78 MAPT (0.59) MAPTPLCG1TDP1RECQLALDH1A1
SCHEMBL15916526 0.76 MAPT (0.97) MAPTHTR1AHTR7EPHX2RECQL
SCHEMBL15915230 0.74 MAPT (1.00) MAPTHTR1AHTR7EPHX2RECQL
SCHEMBL15916076 0.74 MAPT (0.56) MAPTPLCG1TDP1RECQLALDH1A1
SCHEMBL2494822 0.72 TDP1 (0.51) MAPTHTR1AHTR7PLCG1TDP1
SCHEMBL15915182 0.71 MAPT (0.87) MAPTHTR1AHTR7PLCG1RECQL
SCHEMBL3406883 0.70 GBA1 (0.60) MAPTPLCG1TDP1RECQLALDH1A1
SCHEMBL4873735 0.69 MMP1 (0.52) EPHX2ALDH1A1POLBCA1CA2
SCHEMBL4001281 0.68 MAPT (0.60) MAPTHTR1AHTR7EPHX2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 WO disclosed