SCHEMBL11382937

SCHEMBL11382937

CCNS(=O)(=O)c1ccc(OC(C)C)c(-c2nc3ccc(C(=O)O)cc3c(=O)[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 15/20 0.44
▸ PDE2A O00408 1/20 0.38
▸ PDE9A O76083 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE6C P51160 1/20 0.38
▸ PDE1A P54750 1/20 0.38
▸ PDE11A Q9HCR9 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ ABCC5 O15440 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ PARG Q86W56 1/20 0.36

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
SCHEMBL11389378 0.90 PDE5A (0.46) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL11374918 0.90 NPSR1 (0.42) PDE5APARG
SCHEMBL11376235 0.88 NPSR1 (0.44) PDE5AABCC5PARG
SCHEMBL11381837 0.87 PDE5A (0.53) PDE5APDE2APDE9APDE4APDE6C
SCHEMBL11384755 0.86 PDE5A (0.42) PDE5A
SCHEMBL11559725 0.82 TP53 (0.44) PDE5AKDM4E
SCHEMBL11381526 0.82 NPSR1 (0.50) PDE4AKDM4E
SCHEMBL11390124 0.81 PDE5A (0.41) PDE5AKDM4E
SCHEMBL11384783 0.81 PDE5A (0.48) PDE5APDE6C
SCHEMBL11550616 0.80 GUSB (0.51) KDM4E

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
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US claimed
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US disclosed
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