SCHEMBL8814922

SCHEMBL8814922

COc1cc(-c2nc3c(Cc4ccccc4C(F)(F)F)cc(OCC(C)N(C)C)cc3[nH]2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.39
▸ PARP1 P09874 3/20 0.37
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PARP2 Q9UGN5 2/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL8817594 0.88 PARP1 (0.40) PARP1MAPTMEN1KMT2ATP53
SCHEMBL8817619 0.87 ACHE (0.40) BRD4PARP1POLBMAPTMEN1
SCHEMBL8817603 0.86 ACHE (0.42) BRD4PARP1POLBMAPTMEN1
SCHEMBL8079646 0.86 BRD4 (0.39) BRD4PARP1POLBMAPTMEN1
SCHEMBL8817000 0.86 PRMT5 (0.34) PARP1PRMT5DHODHGAA
SCHEMBL8814896 0.82 PARP1 (0.53) BRD4PARP1POLBMAPTMEN1
SCHEMBL8818638 0.81 PARP1 (0.45) BRD4PARP1POLBMAPTMEN1
SCHEMBL8892025 0.81 ACHE (0.42) BRD4PARP1MEN1KMT2AALDH1A1
SCHEMBL8891268 0.80 ACHE (0.43) BRD4PARP1MEN1KMT2AALDH1A1
SCHEMBL8891808 0.80 ACHE (0.43) BRD4PARP1MEN1KMT2AALDH1A1

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
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO claimed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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