SCHEMBL6619696

SCHEMBL6619696

CCCc1nn(C)c2c(=O)[nH]c(-c3sc(S(=O)(=O)Cl)cc3O)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 15/20 0.57
▸ KMT2A Q03164 2/20 0.53
▸ MTOR P42345 1/20 0.52
▸ PDE3B Q13370 4/20 0.50
▸ PDE3A Q14432 4/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ PDE1A P54750 3/20 0.48
▸ PDE1B Q01064 2/20 0.48
▸ PDE1C Q14123 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ PDE6C P51160 3/20 0.47
▸ ABCC5 O15440 2/20 0.47
▸ PDE2A O00408 2/20 0.47
▸ PDE9A O76083 2/20 0.47
▸ PDE4A P27815 2/20 0.47
▸ PDE11A Q9HCR9 2/20 0.47
▸ PDE10A Q9Y233 2/20 0.47

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
SCHEMBL6621801 0.86 PDE5A (0.62) PDE5AKMT2APDE3BPDE3AKDM4E
SCHEMBL6622526 0.86 PDE5A (0.59) PDE5AMTORPDE3BPDE3APDE1A
SCHEMBL931 0.81 PDE5A (0.68) PDE5AKMT2APDE3BPDE3AKDM4E
SCHEMBL6621924 0.76 PDE5A (0.57) PDE5AKMT2AMTORPDE3BPDE3A
SCHEMBL22791902 0.74 PDE5A (0.70) PDE5AKMT2AMTORPDE3BPDE3A
SCHEMBL3313876 0.74 KMT2A (0.70) PDE5AKMT2APDE3BPDE3AKDM4E
SCHEMBL1529 0.73 PDE5A (1.00) PDE5AKMT2AMTORPDE3BPDE3A
SCHEMBL1071 0.73 KMT2A (0.83) PDE5AKMT2APDE3BPDE3AKDM4E
SCHEMBL21067487 0.73 PDE5A (1.00) PDE5AKMT2AMTORPDE3BPDE3A
SCHEMBL29655374 0.73 KMT2A (0.83) PDE5AKMT2APDE3BPDE3AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109814-B1 5-HETEROCYCLYL PYRAZOLO 4,3-D]PYRIMIDIN-7-ONES FOR THE TREATMENT OF MALE ERECTILE DYSFUNCTION ORTHO MCNEIL PHARM INC (US) 2004-04-21 — — EP disclosed
EP-1109814-A1 5-HETEROCYCLYL PYRAZOLO 4,3-D]PYRIMIDIN-7-ONES FOR THE TREATMENT OF MALE ERECTILE DYSFUNCTION Ortho-McNeil Pharmaceutical, Inc. (US) 2001-06-27 — — EP disclosed
US-6077841-A FOR TREATING SEXUAL DISORDERS, MALE IMPOTENCY, HEART FAILURE, PULMONARY HYPERTENSION, AND ANGINA JANSSEN PHARMACEUTICA, N.V. (BE) 2000-06-20 — — US disclosed
WO-2000014088-A1 5-HETEROCYCLYL PYRAZOLO[4,3-D]PYRIMIDIN-7-ONES FOR THE TREATMENT OF MALE ERECTILE DYSFUNCTION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-03-16 — — WO disclosed
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