SCHEMBL30593902

SCHEMBL30593902

Brc1ccccc1N=CC=Nc1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPC1 O15118 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NOS3 P29474 2/20 0.37
▸ NOS1 P29475 2/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ PMM2 O15305 1/20 0.37
▸ MPI P34949 1/20 0.37
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CA2 P00918 2/20 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
SCHEMBL15590711 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL7919996 0.77 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APOLBRAB9A
SCHEMBL11857939 0.75 CYP2C9 (0.41) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL6824427 0.75 MEN1 (0.57) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL11692993 0.75 MEN1 (0.57) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL3193182 0.75 MEN1 (0.42) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL23819974 0.71 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL28755243 0.71 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL3785625 0.71 MEN1 (0.38) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL3785622 0.71 MEN1 (0.38) ALDH1A1MEN1KMT2APOLBNPC1

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-116891505-A Metal complex, process for producing the same, polymer compound, material, light-emitting element, display device, lighting device, and compound 学校法人关西学院 2023-10-17 — — CN disclosed
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