SCHEMBL8818845

SCHEMBL8818845

COc1cc(-c2nc3c(Cc4ccc(Cl)c(Cl)c4)cccc3[nH]2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.53
▸ ADORA2A P29274 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MGAM O43451 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ SI P14410 3/20 0.43
▸ MGAM2 Q2M2H8 3/20 0.43
▸ DHODH Q02127 1/20 0.42
▸ TUBB4A P04350 2/20 0.41
▸ TUBB P07437 2/20 0.41
▸ TUBA3C P0DPH7 2/20 0.41
▸ TUBA1B P68363 2/20 0.41
▸ TUBA4A P68366 2/20 0.41
▸ TUBB4B P68371 2/20 0.41
▸ TUBB3 Q13509 2/20 0.41
▸ TUBB2A Q13885 2/20 0.41
▸ TUBB8 Q3ZCM7 2/20 0.41
▸ TUBA3E Q6PEY2 2/20 0.41
▸ TUBA1A Q71U36 2/20 0.41

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
SCHEMBL8818832 0.89 PARP1 (0.54) PARP1TP53MAPTMGAMGAA
SCHEMBL8814833 0.88 PARP1 (0.53) PARP1TP53MAPTMGAMGAA
SCHEMBL8816600 0.86 PARP1 (0.55) PARP1TP53MAPTMGAMGAA
SCHEMBL8892242 0.86 PARP1 (0.55) PARP1TP53MAPTMGAMGAA
SCHEMBL8818589 0.86 PARP1 (0.55) PARP1TP53MAPTMGAMGAA
SCHEMBL8814842 0.86 PARP1 (0.55) PARP1TP53MAPTMGAMGAA
SCHEMBL8891814 0.86 PARP1 (0.57) PARP1TP53MAPTMGAMGAA
SCHEMBL8818754 0.85 PARP1 (0.54) PARP1TP53MAPTMGAMGAA
SCHEMBL8817568 0.85 PARP1 (0.54) PARP1TP53MAPTMGAMGAA
SCHEMBL8816905 0.83 PARP1 (0.53) PARP1TP53MAPTMGAMGAA

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-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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