SCHEMBL25398463

SCHEMBL25398463

CC(C)(C)c1ccc(N)c(-c2ccccc2-c2cccc(Br)c2[N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ SENP8 Q96LD8 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP6 Q9GZR1 2/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ NPY1R P25929 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL25398470 0.81 HPRT1 (0.39) ALDH1A1NPC1RAB9ANFKB1CASP3
SCHEMBL29028795 0.71 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ANFKB1CASP3
SCHEMBL28124084 0.69 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL23921174 0.68 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ANFKB1CASP3
SCHEMBL29945237 0.68 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ANFKB1CASP3
SCHEMBL29099912 0.68 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ANFKB1CASP3
SCHEMBL30152889 0.68 ALDH1A1 (0.43) ALDH1A1NPY1RMEN1MAPTKMT2A
SCHEMBL1161841 0.68 ALDH1A1 (0.43) ALDH1A1NPY1RMEN1MAPTKMT2A
SCHEMBL7695298 0.67 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL618684 0.67 TSHR (0.59) ALDH1A1NPC1RAB9ACASP3SENP8

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
EP-4212539-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2023-07-19 — — EP disclosed
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