SCHEMBL845

SCHEMBL845

CCOc1ccc(S(=O)(=O)Cl)cc1-c1nc2c(C)nn(C)c2c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.68
KMT2A Q03164 1/20 0.65
NPSR1 Q6W5P4 2/20 0.63
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MAPT P10636 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
HIF1A Q16665 1/20 0.62
MCOLN3 Q8TDD5 1/20 0.62
PDE2A O00408 2/20 0.59
PDE9A O76083 2/20 0.59
PDE4A P27815 2/20 0.59
PDE6C P51160 2/20 0.59
PDE1A P54750 2/20 0.59
PDE3B Q13370 2/20 0.59
PDE3A Q14432 2/20 0.59
PDE11A Q9HCR9 2/20 0.59
PDE10A Q9Y233 2/20 0.59

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
SCHEMBL29655374 0.88 KMT2A (0.83) PDE5AKMT2AALDH1A1KDM4EPDE2A
SCHEMBL1071 0.88 KMT2A (0.83) PDE5AKMT2AALDH1A1KDM4EPDE2A
SCHEMBL12047452 0.83 CA12 (0.60) PDE5A
SCHEMBL7543611 0.82 PDE5A (0.54) PDE5AKMT2AKDM4E
SCHEMBL6642885 0.82 KMT2A (0.59) PDE5AKMT2ANPSR1ALDH1A1KDM4E
SCHEMBL6644911 0.82 KMT2A (0.59) PDE5AKMT2ANPSR1ALDH1A1KDM4E
SCHEMBL973746 0.82 PDE5A (0.68) PDE5AKMT2AKDM4EPDE2APDE9A
SCHEMBL31202676 0.81 KMT2A (0.73) PDE5AKMT2AKDM4EPDE2APDE9A
SCHEMBL1253 0.81 KMT2A (0.73) PDE5AKMT2AKDM4EPDE2APDE9A
SCHEMBL1392 0.81 PDE5A (1.00) PDE5AKMT2AALDH1A1KDM4EPDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP disclosed
US-5346901-A Treatment of angina, hypertension, heart failure and atherosclerosis PFIZER INC. (US) 1994-09-13 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
WO-1993006104-A1 PYRAZOLOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-04-01 WO disclosed
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP disclosed