SCHEMBL16601983

SCHEMBL16601983

COc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2ccccc2CO)C6=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MEN1 O00255 5/20 0.53
NR1H3 Q13133 3/20 0.49
ESR1 P03372 1/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
TLR9 Q9NR96 1/20 0.41
PGR P06401 1/20 0.41
HTT P42858 1/20 0.40
NR1H2 P55055 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
SCHEMBL16601826 0.86 POLB (0.43) KMT2AMEN1NR1H3ALDH1A1KDM4E
SCHEMBL12577485 0.83 NR1H3 (0.56) KMT2AMEN1NR1H3ESR1ALDH1A1
SCHEMBL29355675 0.83 ESR1 (0.59) KMT2AMEN1NR1H3ESR1ALDH1A1
SCHEMBL3404909 0.83 ESR1 (0.59) KMT2AMEN1NR1H3ESR1ALDH1A1
SCHEMBL30720985 0.83 ESR1 (0.59) KMT2AMEN1NR1H3ESR1ALDH1A1
SCHEMBL16417481 0.80 NR1H2 (0.50) KMT2AMEN1NR1H3ALDH1A1MAPT
SCHEMBL7647376 0.79 KMT2A (0.58) KMT2AMEN1NR1H3ESR1ALDH1A1
SCHEMBL16601811 0.79 ANPEP (0.50) KMT2AMEN1NR1H3ALDH1A1KDM4E
SCHEMBL15672159 0.78 ESR1 (0.57) KMT2AMEN1NR1H3ESR1ALDH1A1
SCHEMBL5578422 0.78 ESR1 (0.54) KMT2AMEN1NR1H3ESR1ALDH1A1

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed