SCHEMBL7955729

SCHEMBL7955729

C/C=C\c1c(C(N)=O)c2n(c1-c1cccnc1)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MKNK1 Q9BUB5 5/20 0.36
MKNK2 Q9HBH9 5/20 0.36
CYP11B2 P19099 4/20 0.36
AVPR2 P30518 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
NAMPT P43490 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL7955731 1.00 CSNK1D (0.38) CSNK1DCSNK1EMEN1KMT2AMKNK1
SCHEMBL7946718 0.87 MKNK1 (0.38) CSNK1DCSNK1EMEN1KMT2AMKNK1
SCHEMBL7953701 0.84 CYP11B2 (0.42) CSNK1DCSNK1EMEN1KMT2AMKNK1
SCHEMBL7954909 0.82 MKNK1 (0.41) CSNK1DCSNK1EMEN1KMT2AMKNK1
SCHEMBL895772 0.81 MKNK1 (0.41) CSNK1DCSNK1EMEN1KMT2AMKNK1
SCHEMBL7960330 0.81 MKNK1 (0.40) CSNK1DCSNK1EMEN1KMT2AMKNK1
SCHEMBL7957167 0.81 MKNK1 (0.40) CSNK1DCSNK1EMEN1KMT2AMKNK1
SCHEMBL7953523 0.81 KMT2A (0.44) CSNK1DCSNK1EMEN1KMT2AMKNK1
SCHEMBL7954819 0.81 KDM4E (0.42) CSNK1DCSNK1EMEN1KMT2AMKNK1
SCHEMBL7955168 0.79 CSNK1D (0.39) CSNK1DCSNK1EMEN1KMT2AMKNK1

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
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed