SCHEMBL7953523

SCHEMBL7953523

COc1c(C(N)=O)c2n(c1-c1cccnc1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
MKNK1 Q9BUB5 5/20 0.41
MKNK2 Q9HBH9 5/20 0.41
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP11B2 P19099 4/20 0.38
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
AVPR2 P30518 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7953701 0.85 CYP11B2 (0.42) KMT2AMEN1MKNK1MKNK2CSNK1D
SCHEMBL7954909 0.84 MKNK1 (0.41) KMT2AMEN1MKNK1MKNK2CSNK1D
SCHEMBL7957167 0.83 MKNK1 (0.40) KMT2AMEN1MKNK1MKNK2CSNK1D
SCHEMBL7960330 0.83 MKNK1 (0.40) KMT2AMEN1MKNK1MKNK2CSNK1D
SCHEMBL895772 0.83 MKNK1 (0.41) KMT2AMEN1MKNK1MKNK2CSNK1D
SCHEMBL7954819 0.82 KDM4E (0.42) KMT2AMEN1MKNK1MKNK2CSNK1D
SCHEMBL7955729 0.81 CSNK1D (0.38) KMT2AMEN1MKNK1MKNK2CSNK1D
SCHEMBL7955731 0.81 CSNK1D (0.38) KMT2AMEN1MKNK1MKNK2CSNK1D
SCHEMBL7946718 0.80 MKNK1 (0.38) KMT2AMEN1MKNK1MKNK2CSNK1D
SCHEMBL7955168 0.80 CSNK1D (0.39) KMT2AMEN1MKNK1MKNK2CSNK1D

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