SCHEMBL5805599

SCHEMBL5805599

O=C(Oc1ccccc1)Oc1cc2ccccc2n1C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.43
OGT O15294 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DAO P14920 1/20 0.37
BCHE P06276 1/20 0.37
NR1H2 P55055 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
MCL1 Q07820 1/20 0.36
NR1H3 Q13133 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
SCHEMBL6542176 0.85 OGT (0.51) ALDH1A1MAPTPKMTSHRMAPK1
SCHEMBL11980494 0.75 NOD2 (0.48) ALDH1A1MAPTTSHRKMT2AGAA
SCHEMBL20168569 0.72 NR1H2 (0.46) NR1H2NR1H3
SCHEMBL9353461 0.71 TDP1 (0.54) ALDH1A1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL9241160 0.71 TDP1 (0.54) ALDH1A1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL9353455 0.71 TDP1 (0.54) ALDH1A1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL27352197 0.71 TDP1 (0.54) ALDH1A1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL18073 0.71 TDP1 (0.54) ALDH1A1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL1624312 0.69 MAPT (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL23168121 0.69 POLB (0.46) ALDH1A1MAPTKMT2AGAASMN1; SMN2

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
WO-2006105795-A1 NOVEL INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2006-10-12 WO disclosed