SCHEMBL22625308

SCHEMBL22625308

O=C1/C(=C/c2ccccc2Br)Nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ ALPI P09923 2/20 0.58
▸ TYR P14679 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ IKBKB O14920 1/20 0.49
▸ DYRK2 Q92630 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ HSD11B1 P28845 2/20 0.47
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ IDO1 P14902 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ PLK4 O00444 1/20 0.41

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
SCHEMBL29226048 0.81 NPC1 (0.63) MAPTMEN1KMT2AHPGDHTT
SCHEMBL5695416 0.81 TYR (0.74) MAPTMEN1KMT2AHPGDHTT
SCHEMBL19462942 0.81 MAPT (0.61) MAPTMEN1KMT2AHPGDHTT
SCHEMBL5695444 0.81 TYR (0.74) MAPTMEN1KMT2AHPGDHTT
SCHEMBL10848923 0.80 MAPT (0.65) MAPTMEN1KMT2AHPGDHTT
SCHEMBL6674966 0.78 POLB (0.55) MAPTMEN1KMT2AHPGDALPI
SCHEMBL10853946 0.78 MAPT (0.89) MAPTMEN1KMT2AHPGDHTT
SCHEMBL10853940 0.78 MAPT (0.89) MAPTMEN1KMT2AHPGDHTT
SCHEMBL29226032 0.77 MAPT (0.76) MAPTMEN1KMT2AHPGDHTT
SCHEMBL5695453 0.76 MAPT (1.00) MAPTMEN1KMT2AHPGDHTT

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
WO-2020223439-A1 AURONES AND METHODS OF USING AURONES TO TREAT TUBERCULOSIS Middle Tennessee State University (US) 2020-11-05 — — WO disclosed
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