SCHEMBL11384758

SCHEMBL11384758

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MCOLN3 Q8TDD5 1/20 0.49
▸ PDE5A O76074 14/20 0.47
▸ WDR5 P61964 2/20 0.44
▸ ABCC5 O15440 2/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL11381837 0.90 PDE5A (0.53) PDE5AWDR5KDM4E
SCHEMBL11384783 0.89 PDE5A (0.48) PDE5AWDR5
SCHEMBL11377346 0.88 NPSR1 (0.46) LMNAHTTHIF1ANPSR1MCOLN3
SCHEMBL11386259 0.87 PDE5A (0.53) PDE5AWDR5
SCHEMBL11376235 0.85 NPSR1 (0.44) LMNAHTTHIF1ANPSR1MCOLN3
SCHEMBL11375179 0.82 PDE5A (0.45) PDE5AKDM4E
SCHEMBL11382440 0.82 ALDH1A1 (0.50) LMNAHTTHIF1ANPSR1MCOLN3
SCHEMBL11549969 0.81 GUSB (0.49) LMNAPDE5AKDM4E
SCHEMBL11380722 0.80 PDE5A (0.59) LMNAHIF1APDE5AKDM4E
SCHEMBL11389378 0.79 PDE5A (0.46) HTTPDE5AKDM4E

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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