SCHEMBL10334229

SCHEMBL10334229

Nc1n[nH]c2nc3ccc(O)cc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ PLAU P00749 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ILK Q13418 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ GAA P10253 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ TYMS P04818 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 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
SCHEMBL10333628 0.87 ILK (0.42) PDE3BPDE3APLAUALDH1A1HPGD
SCHEMBL10333619 0.77 GAA (0.57) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL10333750 0.76 PDE3B (0.54) PDE3BPDE3AALDH1A1KDM4EILK
SCHEMBL25366182 0.72 GAA (0.58) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL30588978 0.72 GAA (0.58) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL7256571 0.72 GSK3A (0.58) RPS6KA3CDK2GSK3AGSK3BCYP3A4
SCHEMBL7256564 0.69 GSK3A (0.58) RPS6KA3CDK2GSK3AGSK3BCYP3A4
SCHEMBL10333403 0.69 PDE3B (0.51) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL3044443 0.69 ESR2 (0.54) PDE3BPDE3APLAUALDH1A1HPGD
SCHEMBL9406881 0.68 POLB (0.66) PDE3BPDE3APLAUALDH1A1HPGD

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
US-4920128-A TREATMENT OF HERPES VIRUS STERLING DRUG INC. (US) 1990-04-24 — — US disclosed
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