SCHEMBL21074237

SCHEMBL21074237

Cc1cc(C)cc(N2c3ccccc3N(c3c(C)ccc4c3oc3ccccc34)C2C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
PPARG P37231 3/20 0.33
RXFP1 Q9HBX9 3/20 0.33
NR2E3 Q9Y5X4 3/20 0.33
NCOR2 Q9Y618 3/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 1/20 0.32
PGR P06401 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
AHR P35869 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
SCHEMBL19999688 1.00 ALDH1A1 (0.33) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL20349236 0.89 MEN1 (0.33) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL21074253 0.89 MEN1 (0.33) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL19999702 0.89 MEN1 (0.33) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL19999698 0.88 TSHR (0.32) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL21074251 0.88 TSHR (0.32) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL21074236 0.87 MEN1 (0.37) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL19999694 0.87 MEN1 (0.37) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL21074240 0.84 TSHR (0.33) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL19999706 0.84 TSHR (0.33) ALDH1A1PPARGRXFP1NR2E3NCOR2

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-3492480-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2021-10-20 EP disclosed
EP-3492480-A2 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-06-05 EP disclosed