SCHEMBL882800

SCHEMBL882800

CCCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.67
POLB P06746 1/20 0.65
ALDH1A1 P00352 3/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
KCNK3 O14649 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
TP53 P04637 1/20 0.62
HTT P42858 1/20 0.62
NPC1 O15118 1/20 0.62
LMNA P02545 1/20 0.62
RAB9A P51151 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL874202 0.88 F2R (0.70) F2RKMT2AMEN1KCNK3SMN1; SMN2
SCHEMBL882798 0.87 F2R (0.68) F2RALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10069466 0.87 F2R (0.82) F2RPOLBALDH1A1KMT2AMEN1
SCHEMBL882804 0.86 KMT2A (0.72) F2RALDH1A1KMT2AMEN1KCNK3
SCHEMBL10069967 0.86 KMT2A (0.85) F2RALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL882777 0.84 F2R (0.66) F2RALDH1A1KMT2AMEN1KCNK3
SCHEMBL882790 0.84 KCNK9 (0.71) F2RALDH1A1KMT2AMEN1KCNK3
SCHEMBL10975643 0.83 F2R (0.73) F2RPOLBALDH1A1TP53RAB9A
SCHEMBL882805 0.83 ADORA3 (0.64) F2RALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8278749 0.82 F2R (0.65) F2RALDH1A1KMT2AMEN1SMN1; SMN2

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 3 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
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