SCHEMBL29655374

SCHEMBL29655374

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nc12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.83
KDM4E B2RXH2 1/20 0.81
PDE5A O76074 17/20 0.76
PDE6C P51160 3/20 0.76
PDE1A P54750 3/20 0.76
PDE2A O00408 2/20 0.76
PDE9A O76083 2/20 0.76
PDE4A P27815 2/20 0.76
PDE3B Q13370 2/20 0.76
PDE3A Q14432 2/20 0.76
PDE11A Q9HCR9 2/20 0.76
PDE10A Q9Y233 2/20 0.76
PDE1B Q01064 2/20 0.76
PDE1C Q14123 2/20 0.76
ABCC4 O15439 1/20 0.76
ABCC5 O15440 1/20 0.76
PDE6D O43924 1/20 0.76
PDE8A O60658 1/20 0.76
ABCB11 O95342 1/20 0.76
CYP3A4 P08684 1/20 0.76

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
SCHEMBL1071 1.00 KMT2A (0.83) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL31202676 0.94 KMT2A (0.73) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL1253 0.94 KMT2A (0.73) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL6628860 0.92 KMT2A (0.85) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL3313876 0.92 KMT2A (0.70) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL21995693 0.91 KMT2A (0.83) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL5450370 0.90 KMT2A (0.71) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL1263 0.90 KMT2A (0.68) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL30848678 0.89 PDE5A (0.95) KMT2AKDM4EPDE5APDE6CPDE1A
SCHEMBL845 0.88 PDE5A (0.68) KMT2AKDM4EPDE5APDE6CPDE1A

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-113166157-B Double-acting mode soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-08-27 CN disclosed
EP-4259634-A1 NOVEL COMPOUNDS AS ANDROGEN RECEPTOR AND PHOSPHODIESTERASE DUAL INHIBITOR Ildong Pharmaceutical Co., Ltd. (KR) 2023-10-18 EP disclosed
EP-4058457-A2 NITROGEN OXIDE-DONATING PDE-5 AND/OR PDE-6 INHIBITOR COMPOUNDS Ildong Pharmaceutical Co., Ltd. (KR) 2022-09-21 EP disclosed
WO-2022123310-A1 NOVEL COMPOUNDS AS ANDROGEN RECEPTOR AND PHOSPHODIESTERASE DUAL INHIBITOR ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-06-16 WO disclosed
WO-2022096930-A2 NITROGEN OXIDE-DONATING PDE-5 AND/OR PDE-6 INHIBITOR COMPOUNDS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-05-12 WO disclosed