SCHEMBL7831877

SCHEMBL7831877

O=c1[nH]cc(C2c3ccc(Cl)cc3C=Cc3cc(Cl)ccc32)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ P2RY2 P41231 2/20 0.38
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ DPYD Q12882 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ATAD2 Q6PL18 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL7488455 0.85 ATAD2 (0.40) KMT2AP2RY2ALDH1A1LMNAMEN1
SCHEMBL7500497 0.81 P2RY2 (0.62) P2RY2
SCHEMBL7840803 0.80 ATAD2 (0.38) KMT2AP2RY2ALDH1A1LMNAMEN1
SCHEMBL7841237 0.79 LMNA (0.42) ALDH1A1LMNA
SCHEMBL7486706 0.79 P2RY2 (0.37) KMT2AP2RY2ALDH1A1LMNAMEN1
SCHEMBL7487928 0.78 ALDH1A1 (0.42) KMT2AP2RY2ALDH1A1LMNAMEN1
SCHEMBL7491592 0.78 ALDH1A1 (0.45) KMT2AP2RY2ALDH1A1LMNAPOLB
SCHEMBL7490690 0.77 P2RY2 (0.40) KMT2AP2RY2ALDH1A1LMNAMEN1
SCHEMBL7491074 0.77 P2RY2 (0.34) KMT2AP2RY2ALDH1A1LMNAMEN1
SCHEMBL7841473 0.76 LMNA (0.37) KMT2AP2RY2ALDH1A1LMNAMEN1

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
EP-0984963-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-04-11 — — EP disclosed
US-6162808-A Compounds ASTRAZENECA U.K. LIMITED (GB) 2000-12-19 — — US disclosed
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