SCHEMBL7996726

SCHEMBL7996726

Cc1ccc(-c2cc(C(=O)NCc3ccc(C(F)(F)F)nc3)cc(C(=O)N3CCCC3)c2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
ITK Q08881 3/20 0.42
ADORA2A P29274 1/20 0.42
KCNH2 Q12809 3/20 0.42
NAMPT P43490 1/20 0.41
KDM1A O60341 3/20 0.40
HDAC1 Q13547 2/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KIT P10721 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
RORC P51449 2/20 0.37
CSF1R P07333 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
SCHEMBL12757539 0.88 SCN5A (0.49) SCN5ASCN9AITKADORA2AKCNH2
SCHEMBL1495683 0.88 P2RX3 (0.46) SCN5ASCN9AITKADORA2AKCNH2
SCHEMBL1495413 0.86 NR1I2 (0.47) SCN5ASCN9AITKADORA2ANAMPT
SCHEMBL7997679 0.79 WDR5 (0.43) KDM1AHDAC1ROCK2ALDH1A1
SCHEMBL1495480 0.79 P2RX3 (0.43) SCN5ASCN9AITKKDM1AHDAC1
SCHEMBL1495429 0.78 AKR1C3 (0.45) SCN5ASCN9AITKKDM1AHDAC1
SCHEMBL2760641 0.78 NR1I2 (0.46) SCN5ASCN9AADORA2AALDH1A1
SCHEMBL12757593 0.77 SCN5A (0.43) SCN5ASCN9AITKNAMPTHDAC1
SCHEMBL1495435 0.77 WDR5 (0.42) NAMPTKDM1AHDAC1ROCK2ROCK1
SCHEMBL1495422 0.76 WDR5 (0.48) KDM1AHDAC1ALDH1A1HPGDKIT

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