SCHEMBL7954909

SCHEMBL7954909

NC(=O)c1c(I)c(-c2cccnc2)n2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.41
MKNK2 Q9HBH9 6/20 0.41
CYP11B2 P19099 2/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
FLT3 P36888 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
SCHEMBL895772 0.87 MKNK1 (0.41) MKNK1MKNK2CYP11B2CSNK1DCSNK1E
SCHEMBL7957167 0.87 MKNK1 (0.40) MKNK1MKNK2CYP11B2CSNK1DCSNK1E
SCHEMBL7960330 0.87 MKNK1 (0.40) MKNK1MKNK2CYP11B2CSNK1DCSNK1E
SCHEMBL7953701 0.87 CYP11B2 (0.42) MKNK1MKNK2CYP11B2CSNK1DCSNK1E
SCHEMBL7954819 0.86 KDM4E (0.42) MKNK1MKNK2CYP11B2CSNK1DCSNK1E
SCHEMBL7953523 0.84 KMT2A (0.44) MKNK1MKNK2CYP11B2CSNK1DCSNK1E
SCHEMBL7946718 0.84 MKNK1 (0.38) MKNK1MKNK2CYP11B2CSNK1DCSNK1E
SCHEMBL7955168 0.84 CSNK1D (0.39) MKNK1MKNK2CYP11B2CSNK1DCSNK1E
SCHEMBL7946379 0.83 CYP11B2 (0.42) MKNK1MKNK2CYP11B2CSNK1DCSNK1E
SCHEMBL7953616 0.83 KMT2A (0.43) MKNK1MKNK2CYP11B2CSNK1DCSNK1E

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