SCHEMBL8818638

SCHEMBL8818638

COc1cc(-c2nc3c(Cc4ccccc4C(F)(F)F)cc(O)cc3[nH]2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.45
▸ BRD4 O60885 1/20 0.44
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ AMY1A P0DUB6 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ NOX1 Q9Y5S8 2/20 0.38
▸ SMPD3 Q9NY59 2/20 0.38
▸ PARP2 Q9UGN5 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL8814896 0.88 PARP1 (0.53) PARP1BRD4MEN1KMT2AALDH1A1
SCHEMBL8814849 0.85 PARP1 (0.49) PARP1ALDH1A1LMNAAMY1AMAPT
Hydrochloric Acid SCHEMBL8816567 0.83 PARP1 (0.48) PARP1ALDH1A1LMNAAMY1AMAPT
SCHEMBL8817619 0.82 ACHE (0.40) PARP1BRD4MEN1KMT2AALDH1A1
SCHEMBL8079646 0.82 BRD4 (0.39) PARP1BRD4MEN1KMT2AALDH1A1
SCHEMBL8818927 0.81 MGAM (0.41) PARP1DHODHMGAMGAASI
SCHEMBL8814846 0.81 MGAM (0.39) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8814922 0.81 BRD4 (0.39) PARP1BRD4MEN1KMT2AALDH1A1
SCHEMBL8817603 0.80 ACHE (0.42) PARP1BRD4MEN1KMT2AALDH1A1
SCHEMBL8892025 0.80 ACHE (0.42) PARP1BRD4MEN1KMT2AALDH1A1

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