SCHEMBL19446670

SCHEMBL19446670

Brc1cccc(-c2cccc(C3C=C(c4ccccc4)C=C(c4ccccc4)N3)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 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
SCHEMBL17033547 0.94 MEN1 (0.36) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL18373127 0.92 NPC1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25787076 0.77 SLC5A2 (0.38) KDM1AMAOA
SCHEMBL18960789 0.75 HPGD (0.38) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16864140 0.74 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL21698956 0.74 GP6 (0.30) —
SCHEMBL18904013 0.74 MEN1 (0.34) RAB9ASMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL19622891 0.74 — —
SCHEMBL25811740 0.73 GP6 (0.34) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL18562485 0.72 KDM4E (0.35) HDAC4

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
EP-3051604-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2017-10-11 — — EP disclosed
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