SCHEMBL30375140

SCHEMBL30375140

Brc1cc(-c2ccccc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
IDO1 P14902 1/20 0.47
PLAU P00749 1/20 0.47
PIK3CA P42336 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
FDPS P14324 1/20 0.41
EGFR P00533 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPC1 O15118 2/20 0.39
NFKB1 P19838 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALK Q9UM73 1/20 0.39
COMT P21964 1/20 0.38

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
SCHEMBL4993 1.00 NOTUM (0.48) NOTUMIDO1PLAUPIK3CAALDH1A1
SCHEMBL20958107 0.98 ALDH1A1 (0.46) NOTUMIDO1PLAUPIK3CAALDH1A1
SCHEMBL22912663 0.88 IDO1 (0.55) IDO1PLAUALDH1A1SMN1; SMN2BUB1
Tetrahydrofuran SCHEMBL27539541 0.86 IDO1 (0.38) NOTUMIDO1PLAUPIK3CAFDPS
SCHEMBL28460649 0.84 LMNA (0.52) NOTUMIDO1PIK3CA
SCHEMBL17445451 0.79 CYP11B1 (0.50) IDO1ALDH1A1NISCHNPC1NFKB1
SCHEMBL16341603 0.79 CYP2A6 (0.58) IDO1PIK3CAALDH1A1SMN1; SMN2
SCHEMBL25397821 0.78 MAP4K4 (0.46) IDO1PIK3CAALDH1A1
SCHEMBL28582294 0.78 IDO1 (0.44) IDO1PLAUALDH1A1SMN1; SMN2
SCHEMBL27955461 0.78 ESR1 (0.46) IDO1NPC1RAB9A

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-119708066-A Bivalent platinum complex, preparation method and application thereof, and organic photoelectric device 中国石油化工股份有限公司 2025-03-28 CN disclosed
WO-2023065614-A1 METAL COMPLEX, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC COMPONENT 广州华睿光电材料有限公司 2023-04-27 WO disclosed