SCHEMBL8817603

SCHEMBL8817603

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.42
▸ BRD4 O60885 1/20 0.38
▸ PARP1 P09874 1/20 0.36
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ MCHR1 Q99705 2/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ UTS2R Q9UKP6 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
SCHEMBL8817619 0.91 ACHE (0.40) ACHEBRD4PARP1POLBMAPT
SCHEMBL8079646 0.89 BRD4 (0.39) ACHEBRD4PARP1POLBMAPT
SCHEMBL8814888 0.88 ACHE (0.44) ACHEPARP1MAPTTP53ALDH1A1
SCHEMBL8818593 0.87 ACHE (0.46) ACHEPARP1MAPTTP53ALDH1A1
SCHEMBL8814922 0.86 BRD4 (0.39) BRD4PARP1POLBMAPTMEN1
SCHEMBL8818801 0.85 ACHE (0.44) ACHEPRMT5LTA4H
SCHEMBL8814977 0.85 ACHE (0.46) ACHEPRMT5LTA4HMCHR1
SCHEMBL8084233 0.84 DHODH (0.42) ACHEPARP1MEN1KMT2AALDH1A1
SCHEMBL8892025 0.83 ACHE (0.42) ACHEBRD4PARP1MEN1KMT2A
SCHEMBL8891268 0.83 ACHE (0.43) ACHEBRD4PARP1MEN1KMT2A

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 3 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-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 — — WO disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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