SCHEMBL22052502

SCHEMBL22052502

O=NCc1cccc(C/N=c2\oc(=O)n(Cc3cccc(CN=O)c3)c(=O)n2Cc2cccc(CNO)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 8/20 0.35
▸ CD74 P04233 4/20 0.35
▸ POLB P06746 4/20 0.33
▸ IDO1 P14902 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NOS1 P29475 1/20 0.32
▸ S1PR3 Q99500 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL22273465 1.00 MIF (0.35) MIFCD74POLBIDO1MEN1
SCHEMBL20901874 0.87 ADH1B (0.33) MIFCD74POLBIDO1MEN1
SCHEMBL22273436 0.75 MAPT (0.44) KMT2AMAPT
SCHEMBL18533508 0.75 NOS1 (0.49) POLBIDO1MEN1KMT2ANOS1
SCHEMBL23544529 0.66 KLKB1 (0.36) MIFCD74POLBIDO1MEN1
SCHEMBL17230076 0.63 GRIN2B (0.48) MIFMEN1KMT2ANOS1
SCHEMBL22052983 0.62 ALDH1A1 (0.38) POLBIDO1MEN1KMT2ANOS1
SCHEMBL14255673 0.60 NOS1 (0.45) MIFPOLBIDO1NOS1MAPT
SCHEMBL21424869 0.60 MAPT (0.41) MIFPOLBMEN1KMT2AMAPT
SCHEMBL18758459 0.58 GRIN2D (0.45) NOS1

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
EP-3470134-B1 A COMPOSITION COMPRISING SOLVENT AND HEAT RESISTANT CAPSULES AGFA NV (BE) 2020-06-03 — — EP disclosed
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