SCHEMBL27367910

SCHEMBL27367910

c1ccc2c(-c3cc4cccc5c(-c6cccc7ccccc67)cc6cccc3c6c45)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
HSD17B10 Q99714 7/20 0.52
TSHR P16473 5/20 0.52
HPGD P15428 4/20 0.52
MAPK1 P28482 3/20 0.52
HIF1A Q16665 3/20 0.52
CASP1 P29466 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TP53 P04637 1/20 0.48
CASP7 P55210 1/20 0.48
CYP1A2 P05177 4/20 0.47
MAOA P21397 2/20 0.47
ERBB2 P04626 1/20 0.47
FYN P06241 1/20 0.47
ACHE P22303 1/20 0.47
AHR P35869 1/20 0.47
MAOB P27338 1/20 0.46
THRB P10828 1/20 0.46
CES1 P23141 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL15673310 0.94 CYP1A2 (0.57) ALDH1A1HSD17B10TSHRHPGDMAPK1
SCHEMBL16294462 0.89 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRHPGDMAPK1
SCHEMBL4037425 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRHPGDMAPK1
SCHEMBL1255249 0.88 CYP1A2 (0.50) ALDH1A1HSD17B10TSHRHPGDMAPK1
SCHEMBL30915549 0.88 CYP1A2 (0.50) ALDH1A1HSD17B10TSHRHPGDMAPK1
SCHEMBL5816727 0.86 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRHPGDMAPK1
SCHEMBL1377047 0.86 ALDH1A1 (0.57) ALDH1A1HSD17B10TSHRHPGDMAPK1
SCHEMBL16822385 0.84 CYP1A2 (0.61) ALDH1A1HSD17B10TSHRHPGDMAPK1
SCHEMBL28067095 0.84 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRHPGDMAPK1
SCHEMBL2081468 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRHPGDMAPK1

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-2024035190-A1 ORGANIC LIGHT-EMITTING DIODE AND ORGANIC COMPOUND 솔루스첨단소재 주식회사 2024-02-15 WO disclosed