SCHEMBL29028795

SCHEMBL29028795

CC(C)(C)c1ccc(Nc2cccc(Br)c2[N+](=O)[O-])c(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ SENP8 Q96LD8 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42
▸ SENP6 Q9GZR1 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MYC P01106 4/20 0.41
▸ MAX P61244 3/20 0.41
▸ HPRT1 P00492 1/20 0.37
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ CXCR2 P25025 2/20 0.34
▸ NFKB1 P19838 2/20 0.33
▸ NFKB2 Q00653 2/20 0.33

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
SCHEMBL31588096 0.82 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMAPK1CASP3
SCHEMBL27170189 0.82 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMAPK1CASP3
SCHEMBL27359942 0.80 ALDH1A1 (0.34) ALDH1A1NPC1RAB9AMAPK1CASP3
SCHEMBL25629508 0.78 NPC1 (0.46) ALDH1A1NPC1RAB9AMAPK1CASP3
SCHEMBL31675874 0.76 MYC (0.38) ALDH1A1MYCMAXHPRT1MEN1
SCHEMBL23908292 0.75 NPC1 (0.38) ALDH1A1NPC1RAB9AMAPK1CASP3
SCHEMBL25398470 0.74 HPRT1 (0.39) ALDH1A1NPC1RAB9AMAPK1CASP3
SCHEMBL26547896 0.72 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AMAPK1CASP3
SCHEMBL30814266 0.72 MAPT (0.42) ALDH1A1NPC1RAB9AMAPK1CASP3
SCHEMBL27170178 0.72 MAPT (0.42) ALDH1A1NPC1RAB9AMAPK1CASP3

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
CN-116332999-A Organic electroluminescent material and device 环球展览公司 2023-06-27 — — CN disclosed
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