SCHEMBL23585073

SCHEMBL23585073

Cc1ccccc1Cn1nnc2c(Sc3nnc(-c4ccncc4)o3)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 1/20 0.47
▸ NOX5 Q96PH1 1/20 0.47
▸ NOX4 Q9NPH5 1/20 0.47
▸ DUOX2 Q9NRD8 1/20 0.47
▸ DUOX1 Q9NRD9 1/20 0.47
▸ NOX1 Q9Y5S8 1/20 0.47
▸ TLR5 O60602 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GSK3B P49841 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 3/20 0.40

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
SCHEMBL16560732 0.86 CYBB (0.63) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL9476085 0.70 ALDH1A1 (0.56) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL9476934 0.70 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAHPGDNPSR1
SCHEMBL15313075 0.66 CYBB (0.69) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL15748203 0.65 TLR5 (0.48) TLR5SMN1; SMN2GSK3BCYP1A2CYP2C19
SCHEMBL9476371 0.62 LMNA (0.53) ALDH1A1LMNAHPGDNPSR1TP53
SCHEMBL16157059 0.61 SMN1; SMN2 (0.84) SMN1; SMN2TDP1GSK3BCYP1A2CYP2C19
SCHEMBL7697588 0.60 GSK3B (0.51) TLR5SMN1; SMN2GSK3BCYP1A2CYP2C19
SCHEMBL4930461 0.60 CYBB (0.57) CYBBNOX5NOX4DUOX2DUOX1
SCHEMBL12897993 0.59 HPGD (0.70) SMN1; SMN2GSK3BCYP1A2CYP2C19NPC1

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
EP-3041469-B1 TREATMENT AND OR PREVENTION OF METASTATIC PROSTATE CANCER UNIV ARIZONA (US) 2021-06-30 — — EP disclosed
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