SCHEMBL8817594

SCHEMBL8817594

COc1cc(-c2nc3c(Cc4ccccc4Br)cc(OCC(C)N(C)C)cc3[nH]2)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.40
▸ PARP2 Q9UGN5 4/20 0.38
▸ AMY1A P0DUB6 2/20 0.35
▸ MAPT P10636 4/20 0.35
▸ TP53 P04637 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32

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
SCHEMBL8814922 0.88 BRD4 (0.39) PARP1PARP2AMY1AMAPTTP53
SCHEMBL8818631 0.86 ACHE (0.42) PARP1PARP2AMY1AMAPTTP53
SCHEMBL8814888 0.86 ACHE (0.44) PARP1PARP2AMY1AMAPTTP53
SCHEMBL8079418 0.85 PARP1 (0.41) PARP1PARP2AMY1AMAPTTP53
SCHEMBL8818782 0.85 KDM4E (0.35) PARP1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL8818853 0.81 PARP1 (0.58) PARP1PARP2AMY1AMAPTTP53
SCHEMBL8814849 0.80 PARP1 (0.49) PARP1PARP2AMY1AMAPTTP53
SCHEMBL8817564 0.79 ACHE (0.44) PARP1ADORA2ADHODH
SCHEMBL8816611 0.74 ACHE (0.44) PARP1MAPTTP53KDM4EALDH1A1
SCHEMBL8818593 0.74 ACHE (0.46) PARP1MAPTTP53KDM4EALDH1A1

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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