SCHEMBL35864709

SCHEMBL35864709

c1cc(OCC2CO2)c2cccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GLA P06280 1/20 0.51
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
SYK P43405 5/20 0.41
NR3C1 P04150 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
FABP5 Q01469 1/20 0.39
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CACNA2D1 P54289 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
SCHEMBL1979289 1.00 ALDH1A1 (0.51) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL1979292 1.00 ALDH1A1 (0.51) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL8069764 1.00 ALDH1A1 (0.51) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL3266008 0.89 ALDH1A1 (0.53) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL3266005 0.89 ALDH1A1 (0.53) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL14347222 0.89 ALDH1A1 (0.53) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL8068884 0.85 HTR1A (0.43) HTR1AHTR1DHTR1BNR3C1KDM4E
SCHEMBL729501 0.84 ALDH1A1 (0.65) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL21254543 0.82 HTR2A (0.58) CYP3A4HTR1AHTR1DHTR1B
SCHEMBL9460053 0.79 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR

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-122036368-A Silicon nitride ceramic and preparation method and application thereof 聊城金石晶碳耐磨材料有限公司 2026-05-15 CN claimed
CN-122036368-A Silicon nitride ceramic and preparation method and application thereof 聊城金石晶碳耐磨材料有限公司 2026-05-15 CN disclosed