SCHEMBL11376235

SCHEMBL11376235

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ MCOLN3 Q8TDD5 1/20 0.44
▸ PARG Q86W56 3/20 0.38
▸ PDE5A O76074 4/20 0.37
▸ ABCC5 O15440 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ WDR5 P61964 1/20 0.34

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
SCHEMBL11377346 0.90 NPSR1 (0.46) NPSR1LMNAHTTHIF1AMCOLN3
SCHEMBL11374918 0.90 NPSR1 (0.42) NPSR1LMNAPARGPDE5AALDH1A1
SCHEMBL11382937 0.88 PDE5A (0.44) PARGPDE5AABCC5
SCHEMBL11384755 0.86 PDE5A (0.42) PDE5AMAPTMEN1KMT2AL3MBTL1
SCHEMBL11384758 0.85 LMNA (0.49) NPSR1LMNAHTTHIF1AMCOLN3
SCHEMBL11559725 0.82 TP53 (0.44) PDE5AMAPTMEN1ALDH1A1KMT2A
SCHEMBL11381526 0.82 NPSR1 (0.50) NPSR1LMNAMAPTMEN1ALDH1A1
SCHEMBL11390124 0.81 PDE5A (0.41) PDE5AMAPTMEN1ALDH1A1KMT2A
SCHEMBL11381968 0.80 WDR5 (0.41) NPSR1LMNAHTTHIF1AMCOLN3
SCHEMBL11382440 0.80 ALDH1A1 (0.50) NPSR1LMNAHTTHIF1AMCOLN3

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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