SCHEMBL296141

SCHEMBL296141

CCOCCOc1ccc(OC)c(-c2nc(=O)c3cc(C(=O)O)ccc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 1/20 0.41
▸ POLB P06746 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ PTPN5 P54829 1/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CHEK2 O96017 1/20 0.37
▸ HPGD P15428 2/20 0.37

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
SCHEMBL11550702 0.86 GUSB (0.42) PLA2G4BPOLBMAPTTP53TDP1
SCHEMBL11552873 0.77 PDE5A (0.44) PLA2G4BPOLBMAPTTP53TDP1
SCHEMBL11556538 0.77 TSHR (0.47) POLBMAPTTP53TDP1NPC1
SCHEMBL11552844 0.72 GUSB (0.49) POLBMAPTTP53TDP1NPC1
SCHEMBL11554058 0.71 GUSB (0.51) POLBMAPTTP53TDP1NPC1
SCHEMBL11375670 0.71 GUSB (0.56) POLBMAPTTP53TDP1TSHR
SCHEMBL11554449 0.71 GUSB (0.47) POLBMAPTTP53TDP1NPC1
SCHEMBL11550692 0.70 LMNA (0.43) POLBMAPTTP53TDP1NPC1
SCHEMBL11373870 0.70 GUSB (0.55) PDE3BPDE3AP2RY12CHEK2RARB
SCHEMBL11549969 0.70 GUSB (0.49) PLA2G4BPOLBMAPTTP53TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828150-B1 PROCESSES FOR PRODUCING 4-AMINOQUINAZOLINES VERTEX PHARMA (US) 2012-03-14 — — EP disclosed
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