SCHEMBL835

SCHEMBL835

CCCc1n[nH]c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.55
PDE5A O76074 17/20 0.53
PDE3B Q13370 3/20 0.52
PDE3A Q14432 3/20 0.52
PDE2A O00408 2/20 0.52
PDE9A O76083 2/20 0.52
PDE4A P27815 2/20 0.52
PDE6C P51160 2/20 0.52
PDE1A P54750 2/20 0.52
PDE11A Q9HCR9 2/20 0.52
PDE10A Q9Y233 2/20 0.52
ABCC4 O15439 1/20 0.52
ABCC5 O15440 1/20 0.52
PDE6D O43924 1/20 0.52
PDE8A O60658 1/20 0.52
ABCB11 O95342 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
PDE6A P16499 1/20 0.52

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
SCHEMBL26766351 0.85 PDE5A (0.51) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL970 0.84 PDE5A (0.74) PDE5APDE3BPDE3APDE2APDE9A
SCHEMBL1028 0.82 PDE5A (0.68) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL1071 0.81 KMT2A (0.83) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL29655374 0.81 KMT2A (0.83) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL1263 0.81 KMT2A (0.68) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL6807076 0.78 PDE5A (0.52) PDE5APDE6CPDE11A
SCHEMBL6642885 0.78 KMT2A (0.59) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL6642951 0.78 PDE5A (0.69) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL6644911 0.78 KMT2A (0.59) KMT2AKDM4EPDE5APDE3BPDE3A

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 5 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
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP disclosed