SCHEMBL11376529

SCHEMBL11376529

CCCCOc1ccccc1-c1nc2ccc(C(=O)O)cc2c(=S)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 12/20 0.48
▸ PDE4A P27815 4/20 0.47
▸ PDE4B Q07343 4/20 0.47
▸ PDE4C Q08493 4/20 0.47
▸ PDE4D Q08499 4/20 0.47
▸ GUSB P08236 1/20 0.46
▸ TP53 P04637 2/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL11380722 0.89 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11375259 0.86 PDE5A (0.58) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11374823 0.85 L3MBTL1 (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11383679 0.83 PDE5A (0.66) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11383000 0.82 PDE5A (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11384809 0.79 GUSB (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11384695 0.79 GUSB (0.71) PDE5AGUSBTP53NPC1POLB
SCHEMBL11374673 0.79 GUSB (0.58) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11375179 0.77 PDE5A (0.45) PDE5AGUSBTP53NPC1POLB
SCHEMBL11381831 0.77 PDE5A (0.46) PDE5AGUSBTP53NPC1POLB

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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