SCHEMBL29184540

SCHEMBL29184540

c1ccc(Nc2ccc(-c3nc4cccnc4o3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ ADRB2 P07550 1/20 0.48
▸ SGMS2 Q8NHU3 6/20 0.47
▸ BCHE P06276 1/20 0.44
▸ APP P05067 1/20 0.43
▸ CETP P11597 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ CYP1A2 P05177 2/20 0.40

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
SCHEMBL9867688 0.86 SGMS2 (0.55) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13998685 0.84 ALDH1A1 (0.59) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13189379 0.84 HPGD (0.64) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13998715 0.81 HPGD (0.57) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12910410 0.80 HPGD (0.56) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27424623 0.79 NPC1 (0.50) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24454863 0.78 RAB9A (0.58) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2244448 0.78 NPC1 (0.58) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30787109 0.78 RAB9A (0.54) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9868635 0.78 HPGD (0.54) HPGDALDH1A1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836302-A Organic electroluminescent element and compound thereof 保土谷化学工业株式会社 2024-04-05 — — CN disclosed
WO-2023022186-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND COMPOUND FOR SAME 保土谷化学工業株式会社 2023-02-23 — — WO disclosed
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