SCHEMBL23729134

SCHEMBL23729134

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2ccccc2)c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 3/20 0.39
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
PGR P06401 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
KIF11 P52732 2/20 0.34
PTAFR P25105 1/20 0.34

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
SCHEMBL29236188 0.87 DNMT1 (0.43) DNMT1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL24522072 0.85 HTR1D (0.38) DNMT1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL21971597 0.85 DNMT1 (0.40) DNMT1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL24849190 0.85 DNMT1 (0.40) DNMT1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL21944025 0.83 DNMT1 (0.39) DNMT1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL28568089 0.82 SMN1; SMN2 (0.39) DNMT1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL10029968 0.81 SERPINE1 (0.38) DNMT1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL25693000 0.81 ALDH1A1 (0.44) DNMT1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL25940180 0.81 DNMT1 (0.38) DNMT1ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL24848800 0.80 NPC1 (0.32) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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-3858945-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2023-11-29 EP disclosed
EP-3858945-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2021-08-04 EP disclosed