SCHEMBL7960324

SCHEMBL7960324

NC(=O)c1c(Br)c(-c2cccnc2F)n2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.38
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.35
ABCC1 P33527 2/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
KCNK3 O14649 1/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
MEN1 O00255 1/20 0.33
RORC P51449 2/20 0.32
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
DHODH Q02127 1/20 0.31
GAA P10253 1/20 0.31
PPARG P37231 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL7953633 0.89 PLAU (0.41) PLAUKMT2ACYP3A4ABCC1CLK2
SCHEMBL7954939 0.87 PLAU (0.38) PLAUKMT2ACYP3A4ABCC1CLK2
SCHEMBL7946455 0.87 HPGD (0.38) KMT2ACYP3A4ABCC1CSNK1DCSNK1E
SCHEMBL7946555 0.87 PLAU (0.38) PLAUKMT2ACYP3A4ABCC1CLK2
SCHEMBL7946444 0.78 ALDH1A1 (0.43) ABCC1KDM4EALDH1A1
SCHEMBL7957120 0.78 HPGD (0.38) PLAUKMT2ACYP3A4ABCC1KCNK3
SCHEMBL7957167 0.77 MKNK1 (0.40) KMT2ACSNK1DCSNK1EMEN1MKNK1
SCHEMBL7957179 0.76 KMT2A (0.40) KMT2ACYP3A4ABCC1CSNK1DCSNK1E
SCHEMBL7955823 0.76 MKNK1 (0.41) KMT2ACYP3A4ABCC1KCNK3CSNK1D
SCHEMBL7946519 0.75 PLAU (0.41) PLAUCYP3A4ABCC1CLK2CLK3

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-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed
EP-0833635-A1 NOVEL USE FOR PYRROLE DERIVATIVES Aventis Pharma S.A. (FR) 1998-04-08 EP disclosed
WO-1997000073-A1 NOVEL USE FOR PYRROLE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1997-01-03 WO disclosed