SCHEMBL10592873

SCHEMBL10592873

O=c1cc(-n2ccnc2)c(-c2ccccc2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.57
▸ PDE3A Q14432 5/20 0.57
▸ PIM1 P11309 1/20 0.54
▸ HPGD P15428 1/20 0.50
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ PTGS1 P23219 2/20 0.40
▸ PDE2A O00408 1/20 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
SCHEMBL7290528 0.73 PDE3B (1.00) PDE3BPDE3AMEN1KMT2AALOX15
SCHEMBL703687 0.71 ALDH1A1 (0.60) HPGDMEN1KMT2ACYP2C9CYP2C19
SCHEMBL2474844 0.71 HPGD (0.70) PDE3BPDE3AHPGDMEN1KMT2A
SCHEMBL3556833 0.70 ALDH1A1 (0.59) HPGDCYP2C9CYP2C19ALDH1A1PTGS1
SCHEMBL14688925 0.70 PIM1 (1.00) PIM1ALOX15TSHRCYP2C19CYP3A4
SCHEMBL10149837 0.69 ROCK1 (0.76) PDE3BPDE3AMEN1KMT2AALOX15
SCHEMBL14699584 0.68 MEN1 (0.50) PDE3BPDE3APIM1MEN1KMT2A
SCHEMBL7287713 0.68 PDE3B (0.71) PDE3BPDE3AMEN1KMT2AALOX15
SCHEMBL11144936 0.67 HPGD (0.64) HPGDMEN1KMT2AALOX15TSHR
SCHEMBL10288495 0.67 HPGD (0.64) PDE3BPDE3AHPGDMEN1KMT2A

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
JP-1258671-A — — None — — JP disclosed
JP-H01258671-A 5-(1H-IMIDAZOL-1-YL)-3(2H)-PYRIDAZINONE DERIVATIVE MORISHITA PHARMACEUT CO LTD 1989-10-16 — — JP disclosed
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