SCHEMBL31055818

SCHEMBL31055818

CCCc1ccc2cccnc2c1O.CCCc1ccc2cccnc2c1O.CCCc1ccc2cccnc2c1O.[Al+3]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HSP90AA1 P07900 5/20 0.47
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MMP8 P22894 1/20 0.47
CCR1 P32246 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL1714944 0.98 BCHE (0.49) BCHEALDH1A1HSP90AA1MMP2TSHR
SCHEMBL1824345 0.97 BCHE (0.48) BCHEALDH1A1HSP90AA1MMP2TSHR
SCHEMBL27519923 0.92 BCHE (0.45) BCHEALDH1A1HSP90AA1MMP2TSHR
SCHEMBL17060419 0.88 MMP2 (0.44) BCHEALDH1A1HSP90AA1MMP2TSHR
SCHEMBL10705017 0.88 TRPV1 (0.49) BCHEALDH1A1HSP90AA1MMP2TSHR
SCHEMBL11757253 0.86 TYR (0.49) BCHEALDH1A1HSP90AA1MMP2TSHR
SCHEMBL8937738 0.86 TYR (0.49) BCHEALDH1A1HSP90AA1MMP2TSHR
SCHEMBL11759262 0.86 TYR (0.49) BCHEALDH1A1HSP90AA1MMP2TSHR
SCHEMBL11786290 0.86 TYR (0.49) BCHEALDH1A1HSP90AA1MMP2TSHR
SCHEMBL10824010 0.86 TYR (0.49) BCHEALDH1A1HSP90AA1MMP2TSHR

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-119521895-A Method for producing an optoelectronic component 原子能和替代能源委员会 2025-02-25 CN disclosed
CN-118742077-A Light emitting device 株式会社半导体能源研究所 2024-10-01 CN disclosed