SCHEMBL20976794

SCHEMBL20976794

COc1ccc(N(N)/C=C\N)c(C(=O)O)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL4849364 0.74 CA12 (0.63) MAPTTDP1KMT2AMEN1CA12
SCHEMBL1321669 0.72 MAPT (0.51) MAPTTDP1KMT2AMEN1CA12
SCHEMBL582414 0.70 MAPT (0.68) MAPTTDP1KMT2AMEN1CA12
SCHEMBL14612801 0.70 TDP1 (0.53) MAPTTDP1KMT2AMEN1CA12
SCHEMBL29952661 0.69 KMT2A (0.52) MAPTTDP1KMT2AMEN1CA12
SCHEMBL2799192 0.69 KMT2A (0.52) MAPTTDP1KMT2AMEN1CA12
SCHEMBL21863298 0.69 HTT (0.45) TDP1KMT2AMEN1CA12CA1
SCHEMBL241586 0.68 MAPT (0.51) MAPTTDP1KMT2AMEN1CA12
SCHEMBL421547 0.68 MAPT (0.51) MAPTTDP1KMT2AMEN1CA12
SCHEMBL4501917 0.68 HTT (0.51) MAPTTDP1KMT2AMEN1CA12

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-3093291-B1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-08 — — EP disclosed
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