SCHEMBL11375830

SCHEMBL11375830

C=CCOc1ccccc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 4/20 0.52
▸ PDE5A O76074 6/20 0.46
▸ TP53 P04637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40

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
SCHEMBL11384695 0.86 GUSB (0.71) GUSBPDE5ATP53MAPTTDP1
SCHEMBL11383679 0.84 PDE5A (0.66) GUSBPDE5AMAPTKDM4EHPGD
SCHEMBL11378049 0.83 GUSB (0.55) GUSBPDE5ATP53MAPTTDP1
SCHEMBL11380722 0.83 PDE5A (0.59) GUSBPDE5ATP53MAPTTDP1
SCHEMBL11550603 0.82 GUSB (0.47) GUSBPDE5ATP53MAPTTDP1
SCHEMBL11375259 0.82 PDE5A (0.58) GUSBPDE5AMAPTKDM4EHPGD
SCHEMBL11382413 0.82 GUSB (0.59) GUSBPOLBKDM4EHPGD
SCHEMBL11374673 0.82 GUSB (0.58) GUSBPDE5ATP53MAPTTDP1
SCHEMBL11550692 0.81 LMNA (0.43) GUSBTP53MAPTTDP1NPC1
SCHEMBL11375677 0.80 PDE5A (0.54) GUSBPDE5ATP53MAPTTDP1

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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