SCHEMBL8470843

SCHEMBL8470843

CCCC(/N=C/c1ccccc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.50
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CTDSP1 Q9GZU7 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
PIN1 Q13526 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8306398 1.00 MIF (0.50) MIFPOLBMEN1KMT2ACTDSP1
SCHEMBL2589303 0.92 MIF (0.46) MIFPOLBMEN1KMT2ACTDSP1
SCHEMBL6838827 0.92 MIF (0.46) MIFPOLBMEN1KMT2ACTDSP1
SCHEMBL2589301 0.92 MIF (0.46) MIFPOLBMEN1KMT2ACTDSP1
SCHEMBL7468742 0.88 MIF (0.58) MIFMEN1KMT2ACTDSP1NPC1
SCHEMBL7468752 0.88 MIF (0.58) MIFMEN1KMT2ACTDSP1NPC1
SCHEMBL3233810 0.85 MIF (0.43) MIFPOLBMEN1KMT2ACTDSP1
SCHEMBL20848265 0.85 MIF (0.44) MIFPOLBMEN1KMT2ACTDSP1
SCHEMBL11114799 0.85 MIF (0.43) MIFPOLBMEN1KMT2ACTDSP1
SCHEMBL3233807 0.85 MIF (0.43) MIFPOLBMEN1KMT2ACTDSP1

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-6004963-A TUMOR NECROSIS FACTOR RELEASE INHIBITORS; IMMUNOMODULATORS GRUENENTHAL GMBH (DE) 1999-12-21 US disclosed