SCHEMBL6621801

SCHEMBL6621801

CCCc1nn(C)c2c(=O)[nH]c(-c3sc(S(=O)(=O)Cl)cc3OCC)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.60
▸ PDE1A P54750 3/20 0.59
▸ PDE1B Q01064 2/20 0.59
▸ PDE1C Q14123 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ PDE6C P51160 3/20 0.57
▸ PDE2A O00408 2/20 0.57
▸ PDE9A O76083 2/20 0.57
▸ PDE4A P27815 2/20 0.57
▸ PDE3B Q13370 2/20 0.57
▸ PDE3A Q14432 2/20 0.57
▸ PDE11A Q9HCR9 2/20 0.57
▸ PDE10A Q9Y233 2/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ ABCC5 O15440 1/20 0.57
▸ PDE6D O43924 1/20 0.57

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
SCHEMBL6624319 0.86 PDE5A (0.69) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL6619696 0.86 PDE5A (0.57) PDE5AKMT2AKDM4EPDE1APDE1B
SCHEMBL7399340 0.86 PDE5A (0.70) PDE5AKMT2AKDM4EPDE1APDE1B
SCHEMBL7360646 0.84 PDE5A (0.59) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL7402702 0.83 PDE5A (0.71) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL1071 0.82 KMT2A (0.83) PDE5AKMT2AKDM4EPDE1APDE1B
SCHEMBL29655374 0.82 KMT2A (0.83) PDE5AKMT2AKDM4EPDE1APDE1B
SCHEMBL7428886 0.79 PDE5A (0.68) PDE5AKMT2AKDM4EPDE1APDE1B
SCHEMBL6628860 0.77 KMT2A (0.85) PDE5AKMT2AKDM4EPDE1APDE1B
SCHEMBL21067487 0.76 PDE5A (1.00) PDE5AKMT2AKDM4EPDE1APDE1B

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
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
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
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