SCHEMBL25398470

SCHEMBL25398470

CC(C)(C)c1cc(-c2ccccc2)c(N)c(-c2cccc(Br)c2[N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CTSB P07858 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GFER P55789 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
SCHEMBL25398463 0.81 ALDH1A1 (0.39) ALDH1A1TDP1CTSBMAPK1MEN1
SCHEMBL7695298 0.77 ALDH1A1 (0.53) HPRT1ALDH1A1TDP1MAPK1MEN1
SCHEMBL23172827 0.76 POLB (0.45) ALDH1A1NPC1RAB9AMAPTCASP3
SCHEMBL29028795 0.74 ALDH1A1 (0.42) HPRT1ALDH1A1TDP1MAPK1MEN1
SCHEMBL30963726 0.72 MAOA (0.42) ALDH1A1MAPTRXRARXRBPOLB
SCHEMBL31512148 0.72 MAOA (0.42) ALDH1A1MAPTRXRARXRBPOLB
SCHEMBL31047815 0.71 RXRB (0.44) ALDH1A1NPC1RAB9AMAPTCASP3
SCHEMBL31341405 0.70 MAOA (0.44) ALDH1A1NPC1RAB9AMAPTCASP3
SCHEMBL30880135 0.70 RXRB (0.46) ALDH1A1NPC1RAB9AMAPTCASP3
SCHEMBL27066917 0.70 RXRB (0.46) ALDH1A1NPC1RAB9AMAPTCASP3

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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