SCHEMBL21085331

SCHEMBL21085331

Cc1cc(I)cc(C2CC3CCC2C3)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
SLC6A3 Q01959 8/20 0.33
SLC6A4 P31645 6/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
BRD4 O60885 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
SCHEMBL20375427 0.81 MEN1 (0.45) MEN1POLBGAAKMT2AKCNQ3
SCHEMBL20358182 0.81 MEN1 (0.45) MEN1POLBGAAKMT2AKCNQ3
SCHEMBL12557240 0.75 MEN1 (0.45) MEN1POLBGAAKMT2AKCNQ3
SCHEMBL20358070 0.72 MEN1 (0.38) MEN1POLBGAAKMT2AKCNQ3
SCHEMBL20375464 0.72 MEN1 (0.38) MEN1POLBGAAKMT2AKCNQ3
SCHEMBL16955258 0.71 HTR2C (0.37)
SCHEMBL900460 0.71 MEN1 (0.66) MEN1POLBGAAKMT2AJAK2
SCHEMBL23040796 0.71 MEN1 (0.61) MEN1POLBGAAKMT2AKCNQ3
SCHEMBL23040801 0.70 KMT2A (0.47) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL24221595 0.69 MEN1 (0.58) MEN1POLBGAAKMT2AKCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4206210-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2023-07-05 EP disclosed
EP-3613751-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2020-02-26 EP disclosed
EP-3492528-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-06-05 EP disclosed