SCHEMBL11389378

SCHEMBL11389378

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 11/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ PDE9A O76083 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE6C P51160 1/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE11A Q9HCR9 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11382937 0.90 PDE5A (0.44) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL11381837 0.89 PDE5A (0.53) PDE5AKDM4EPDE2APDE9APDE4A
SCHEMBL11381526 0.88 NPSR1 (0.50) ALDH1A1KDM4EGAAHPGDPDE4A
SCHEMBL11377346 0.87 NPSR1 (0.46) PDE5AALDH1A1HTTMAPTMEN1
SCHEMBL11389001 0.85 PKM (0.46) PDE5AALDH1A1KDM4EHPGDMEN1
SCHEMBL11381304 0.85 PDE5A (0.48) PDE5AALDH1A1KDM4EMAPTPOLB
SCHEMBL11381858 0.83 ALDH1A1 (0.48) PDE5AALDH1A1KDM4EHPGDMAPT
SCHEMBL11382440 0.81 ALDH1A1 (0.50) PDE5AALDH1A1HTTKDM4EHPGD
SCHEMBL11380547 0.80 MGLL (0.48) ALDH1A1KDM4EHPGDPDE4AMAPT
SCHEMBL11375670 0.80 GUSB (0.56) HTTKDM4EHPGDMAPTPOLB

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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