SCHEMBL17033547

SCHEMBL17033547

Brc1cccc(C2C=C(c3ccccc3)C=C(c3ccccc3)N2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ KDM1A O60341 6/20 0.34
▸ RCOR1 Q9UKL0 4/20 0.34
▸ EPAS1 Q99814 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TP53 P04637 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
SCHEMBL19446670 0.94 GABRA1 (0.35) MEN1KMT2APOLBHDAC4KDM1A
SCHEMBL18373127 0.91 NPC1 (0.36) MEN1KMT2APOLBHDAC4KDM1A
SCHEMBL18960789 0.77 HPGD (0.38) MEN1KMT2AALDH1A1NPC1TSHR
SCHEMBL16864140 0.77 ALDH1A1 (0.40) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL18904013 0.73 MEN1 (0.34) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL21698956 0.73 GP6 (0.30) —
SCHEMBL5582405 0.73 MEN1 (0.43) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL17413356 0.72 EGFR (0.40) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL19622891 0.71 — —
SCHEMBL18562481 0.71 KDM4E (0.37) HDAC4L3MBTL1

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
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