SCHEMBL11384755

SCHEMBL11384755

CC(C)Oc1ccc(S(N)(=O)=O)cc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ TNKS O95271 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ CHEK2 O96017 2/20 0.38
▸ PKM P14618 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CA4 P22748 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ GUSB P08236 1/20 0.35

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
SCHEMBL11389001 0.89 PKM (0.46) PDE5ACA1CA2ACHETNKS
SCHEMBL11374918 0.89 NPSR1 (0.42) PDE5ATNKSCHEK2TP53
SCHEMBL11382937 0.86 PDE5A (0.44) PDE5A
SCHEMBL11376235 0.86 NPSR1 (0.44) PDE5ATNKSKMT2ACHEK2MAPT
SCHEMBL11559725 0.86 TP53 (0.44) PDE5AKMT2ACHEK2POLBTP53
SCHEMBL11390124 0.85 PDE5A (0.41) PDE5ATNKSKMT2ANPC1POLB
SCHEMBL11386259 0.84 PDE5A (0.53) PDE5AKMT2A
SCHEMBL11550616 0.83 GUSB (0.51) TNKSCHEK2NPC1POLBRAB9A
SCHEMBL11375677 0.83 PDE5A (0.54) PDE5ATNKSKMT2APKMNPC1
SCHEMBL11552075 0.80 GUSB (0.47) KMT2ACHEK2POLBTP53MAPT

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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