SCHEMBL22558019

SCHEMBL22558019

CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)O)ccc3OCC)[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
KDM4E B2RXH2 1/20 0.60
PDE5A O76074 17/20 0.59
PDE3B Q13370 3/20 0.59
PDE3A Q14432 3/20 0.59
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
PDE11A Q9HCR9 2/20 0.59
PDE10A Q9Y233 2/20 0.59
ABCC4 O15439 1/20 0.59
ABCC5 O15440 1/20 0.59
PDE6D O43924 1/20 0.59
PDE8A O60658 1/20 0.59
ABCB11 O95342 1/20 0.59
CYP3A4 P08684 1/20 0.59
HTR1A P08908 1/20 0.59
PDE6A P16499 1/20 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
SCHEMBL29393046 1.00 KMT2A (0.62) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL28409645 0.91 KMT2A (0.75) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL4369284 0.91 KMT2A (0.62) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL30917340 0.91 KMT2A (0.59) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL29010393 0.90 KMT2A (0.61) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL22793623 0.89 KMT2A (0.60) KMT2AKDM4EPDE5APDE3BPDE3A
Sildenafil SCHEMBL492566 0.88 PDE5A (0.77) PDE5APDE3BPDE3APDE2APDE9A
SCHEMBL29010395 0.88 KMT2A (0.58) KMT2AKDM4EPDE5APDE3BPDE3A
SCHEMBL19518061 0.87 PDE5A (0.77) PDE5APDE3BPDE3APDE2APDE9A
SCHEMBL19254528 0.87 PDE5A (0.78) PDE5APDE3BPDE3APDE2APDE9A

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
CN-118852170-A Sildenafil non-preparation method 迪嘉药业集团股份有限公司 2024-10-29 CN disclosed
CN-115097026-B Method for detecting pyrazolopyrimidine benzenesulfonate compounds from medicines 河北常山生化药业股份有限公司 2023-05-02 CN disclosed
CN-115097026-A Method for detecting pyrazolopyrimidine benzene sulfonate compound from medicine 河北常山生化药业股份有限公司 2022-09-23 CN disclosed
EP-3956024-A1 LIQUID SILDENAFIL CITRATE COMPOSITIONS Ellamed IP & Services Pte. Ltd. (SG) 2022-02-23 EP disclosed
WO-2020212931-A1 LIQUID SILDENAFIL CITRATE COMPOSITIONS VIGOROUS SOLUTIONS LTD. (IL) 2020-10-22 WO disclosed