SCHEMBL882805

SCHEMBL882805

CCCC(=O)Nc1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.64
ADORA2A P29274 1/20 0.64
ADORA2B P29275 1/20 0.64
ADORA1 P30542 1/20 0.64
F2R P25116 9/20 0.60
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 2/20 0.59
TP53 P04637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 2/20 0.55
ALOX12 P18054 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL882793 0.89 F2R (0.66) F2RALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL882798 0.84 F2R (0.68) F2RALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10069466 0.84 F2R (0.82) F2RALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10069967 0.83 KMT2A (0.85) F2RALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL882804 0.83 KMT2A (0.72) F2RALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL882800 0.83 F2R (0.67) F2RALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL882777 0.81 F2R (0.66) F2RALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL882790 0.81 KCNK9 (0.71) ADORA3F2RALDH1A1KMT2AMEN1
SCHEMBL10975643 0.80 F2R (0.73) F2RALDH1A1TP53MAPT
SCHEMBL7680266 0.79 ADORA3 (0.75) ADORA3ADORA2AADORA2BADORA1ALDH1A1

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
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed