SCHEMBL8892242

SCHEMBL8892242

COc1cc(-c2nc3c(Cc4c(Cl)cccc4Cl)cccc3[nH]2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.55
▸ MAPT P10636 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TUBB4A P04350 3/20 0.46
▸ TUBB P07437 3/20 0.46
▸ TUBA3C P0DPH7 3/20 0.46
▸ TUBA1B P68363 3/20 0.46
▸ TUBA4A P68366 3/20 0.46
▸ TUBB4B P68371 3/20 0.46
▸ TUBB3 Q13509 3/20 0.46
▸ TUBB2A Q13885 3/20 0.46
▸ TUBB8 Q3ZCM7 3/20 0.46
▸ TUBA3E Q6PEY2 3/20 0.46
▸ TUBA1A Q71U36 3/20 0.46
▸ TUBA1C Q9BQE3 3/20 0.46
▸ TUBB6 Q9BUF5 3/20 0.46
▸ TUBB2B Q9BVA1 3/20 0.46
▸ TUBB1 Q9H4B7 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45

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
SCHEMBL8816600 0.91 PARP1 (0.55) PARP1MAPTTP53TUBB4ATUBB
SCHEMBL8818845 0.86 PARP1 (0.53) PARP1MAPTTP53TUBB4ATUBB
SCHEMBL8816905 0.86 PARP1 (0.53) PARP1MAPTTP53TUBB4ATUBB
SCHEMBL8818832 0.86 PARP1 (0.54) PARP1MAPTTP53TUBB4ATUBB
SCHEMBL8817577 0.85 PARP1 (0.58) PARP1MAPTTP53TUBB4ATUBB
SCHEMBL8814833 0.85 PARP1 (0.53) PARP1MAPTTP53TUBB4ATUBB
SCHEMBL8891814 0.84 PARP1 (0.57) PARP1MAPTTP53TUBB4ATUBB
SCHEMBL8818794 0.83 PARP1 (0.56) PARP1MAPTTP53KDM4EALDH1A1
SCHEMBL8818589 0.82 PARP1 (0.55) PARP1MAPTTP53TUBB4ATUBB
SCHEMBL8814842 0.82 PARP1 (0.55) PARP1MAPTTP53TUBB4ATUBB

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