SCHEMBL31598897

SCHEMBL31598897

N#Cc1ccccc1-c1cccc2oc3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAOA P21397 3/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PGAM1 P18669 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CDC14B O60729 1/20 0.36
▸ CDC14A Q9UNH5 1/20 0.36

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
SCHEMBL21692188 0.92 CA1 (0.37) CA1CA2ESR2KDM4EALDH1A1
SCHEMBL21293779 0.89 CA1 (0.37) CA1CA2ESR2KDM4EALDH1A1
SCHEMBL21691469 0.89 ESR2 (0.39) CA1CA2ESR2KDM4EALDH1A1
SCHEMBL21692267 0.88 ESR2 (0.37) CA1CA2ESR2KDM4EALDH1A1
SCHEMBL21691470 0.87 ESR2 (0.38) ESR2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL21691453 0.87 ESR2 (0.38) ESR2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL21691362 0.87 PIM1 (0.37) CA1CA2ESR2KDM4EALDH1A1
SCHEMBL21691337 0.87 ESR2 (0.42) CA1CA2ESR2KDM4EALDH1A1
SCHEMBL21692270 0.86 ESR2 (0.41) CA1CA2ESR2KDM4EALDH1A1
SCHEMBL21691353 0.85 ESR2 (0.39) ESR2KDM4EALDH1A1CYP3A4HPGD

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-120059724-A Double-main-body material and application thereof 吉林奥来德光电材料股份有限公司 2025-05-30 — — CN claimed
CN-120059724-A Double-main-body material and application thereof 吉林奥来德光电材料股份有限公司 2025-05-30 — — CN disclosed
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