SCHEMBL8009112

SCHEMBL8009112

Bc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(C(=O)N3CCCC3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.47
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
GRM5 P41594 2/20 0.41
NAMPT P43490 2/20 0.40
HDAC1 Q13547 1/20 0.40
CYP2C9 P11712 1/20 0.40
KIT P10721 1/20 0.40
PIK3CA P42336 1/20 0.40
HPGD P15428 1/20 0.39
VNN1 O95497 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 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
SCHEMBL1495422 0.92 WDR5 (0.48) WDR5KLKB1KLK1HDAC1KIT
SCHEMBL1495553 0.90 WDR5 (0.47) WDR5KLKB1KLK1GRM5NAMPT
SCHEMBL1495829 0.89 WDR5 (0.45) WDR5KLKB1KLK1GRM5NAMPT
SCHEMBL1495705 0.84 CA1 (0.43) WDR5KLKB1KLK1GRM5NAMPT
SCHEMBL1495425 0.84 P2RX3 (0.48) WDR5P2RX3P2RX2
SCHEMBL12757573 0.84 WDR5 (0.49) WDR5HDAC1P2RX3P2RX2
SCHEMBL1495450 0.83 AKR1C3 (0.46) KLKB1KLK1HDAC1KITHPGD
SCHEMBL12757575 0.82 WDR5 (0.45) WDR5HDAC1PIK3CAP2RX3P2RX2
SCHEMBL1495494 0.82 AKR1C3 (0.45) KLKB1KLK1GRM5HDAC1KIT
SCHEMBL1495395 0.81 AKR1C3 (0.44) KLKB1KLK1GRM5HDAC1KIT

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-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO disclosed