SCHEMBL20686995

SCHEMBL20686995

Cc1ccc2c(oc3ccccc32)c1N1C=CN(c2ccccc2)[C@@H](C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
PPARG P37231 4/20 0.35
RXFP1 Q9HBX9 4/20 0.35
NR2E3 Q9Y5X4 4/20 0.35
NCOR2 Q9Y618 4/20 0.35
NPSR1 Q6W5P4 4/20 0.35
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HCRTR1 O43613 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
NPY1R P25929 1/20 0.32

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
SCHEMBL24263910 1.00 ALDH1A1 (0.35) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL21758899 0.84 MAPK1 (0.32) ALDH1A1PPARGHSD17B10MAPK1MEN1
SCHEMBL21204096 0.84 PIK3CA (0.33)
SCHEMBL21363403 0.84 PIK3CA (0.33)
SCHEMBL24577518 0.84 MEN1 (0.33) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL19999701 0.83 ALDH1A1 (0.35) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL20349245 0.83 ALDH1A1 (0.35) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL11921030 0.83 ALDH1A1 (0.35) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL20687009 0.82
SCHEMBL21363163 0.82

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539959-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-09-18 EP disclosed
EP-3435438-A2 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-01-30 EP disclosed