SCHEMBL11386259

SCHEMBL11386259

CCCCOc1ccc(S(N)(=O)=O)cc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.53
▸ KMT2A Q03164 1/20 0.47
▸ WDR5 P61964 1/20 0.41
▸ PDE6D O43924 1/20 0.41
▸ PDE6A P16499 1/20 0.41
▸ PDE6G P18545 1/20 0.41
▸ PDE6B P35913 1/20 0.41
▸ PDE6C P51160 1/20 0.41
▸ PDE6H Q13956 1/20 0.41

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
SCHEMBL11381837 0.89 PDE5A (0.53) PDE5AWDR5PDE6C
SCHEMBL11384783 0.88 PDE5A (0.48) PDE5AWDR5PDE6DPDE6APDE6G
SCHEMBL11384758 0.87 LMNA (0.49) PDE5AWDR5
SCHEMBL11389001 0.87 PKM (0.46) PDE5AKMT2A
SCHEMBL11375179 0.86 PDE5A (0.45) PDE5A
SCHEMBL11549969 0.85 GUSB (0.49) PDE5A
SCHEMBL11384755 0.84 PDE5A (0.42) PDE5AKMT2A
SCHEMBL11380722 0.84 PDE5A (0.59) PDE5AKMT2APDE6DPDE6APDE6G
SCHEMBL11375259 0.81 PDE5A (0.58) PDE5AKMT2APDE6DPDE6APDE6G
SCHEMBL11381831 0.80 PDE5A (0.46) PDE5A

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
Send feedback