SCHEMBL21364460

SCHEMBL21364460

Brc1ccc(-c2ccc(-c3ccc(Br)cc3)c3nsnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP2A6 P11509 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ PKM P14618 1/20 0.34
▸ SAE1 Q9UBE0 1/20 0.34
▸ UBA2 Q9UBT2 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ AURKA O14965 1/20 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
SCHEMBL10210065 0.92 MAPT (0.39) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL29004068 0.81 MAPT (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL714013 0.77 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14806811 0.77 MAPK14 (0.39) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL21915668 0.77 CYP3A4 (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL862821 0.77 COMT (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL17197413 0.77 ESR1 (0.39) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL721818 0.76 TDO2 (0.39) ALDH1A1MAPTMAPK1CYP2A6NPC1
SCHEMBL20806202 0.76 COMT (0.39) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL23055925 0.75 MAPK1 (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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
US-20190284334-A1 POLY (SPIROBIFLUORENE) AND ORGANIC ELECTROLUMINESCENT DEVICE CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2019-09-19 — — US disclosed
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