SCHEMBL17224400

SCHEMBL17224400

COc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.59
▸ TUBB1 Q9H4B7 13/20 0.54
▸ TUBB4A P04350 12/20 0.54
▸ TUBB P07437 12/20 0.54
▸ TUBA3C P0DPH7 12/20 0.54
▸ TUBA1B P68363 12/20 0.54
▸ TUBA4A P68366 12/20 0.54
▸ TUBB4B P68371 12/20 0.54
▸ TUBB3 Q13509 12/20 0.54
▸ TUBB2A Q13885 12/20 0.54
▸ TUBB8 Q3ZCM7 12/20 0.54
▸ TUBA3E Q6PEY2 12/20 0.54
▸ TUBA1A Q71U36 12/20 0.54
▸ TUBA1C Q9BQE3 12/20 0.54
▸ TUBB6 Q9BUF5 12/20 0.54
▸ TUBB2B Q9BVA1 12/20 0.54
▸ SLC22A2 O15244 1/20 0.53
▸ SLCO2B1 O94956 1/20 0.53
▸ ABCB1 P08183 1/20 0.53
▸ SLC22A6 Q4U2R8 1/20 0.53

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
SCHEMBL18540717 1.00 PTGS1 (0.59) PTGS1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL17224345 1.00 PTGS1 (0.59) PTGS1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL18528457 0.87 PTGS1 (0.47) PTGS1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL17224294 0.87 PTGS1 (0.47) PTGS1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL17224265 0.85 PTGS1 (0.56) PTGS1MEN1NPC1HSP90AA1GAA
SCHEMBL17224266 0.85 PTGS1 (0.56) PTGS1MEN1NPC1HSP90AA1GAA
SCHEMBL18540732 0.85 PTGS1 (0.56) PTGS1MEN1NPC1HSP90AA1GAA
SCHEMBL17224380 0.85 PTGS1 (0.51) PTGS1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL17224381 0.85 PTGS1 (0.51) PTGS1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL17224354 0.82 CYP3A4 (0.55) PTGS1TUBB1TUBB4ATUBBTUBA3C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137554-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS Ecole Normale Superieure De Lyon (FR) 2017-03-08 — — EP claimed
US-20170051149-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-02-23 — — US claimed
WO-2015166295-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2015-11-05 — — WO claimed
WO-2019199911-A1 PHOTOSWITCHABLE DIBENZOTHIENYLMETHYL TRIPHENYLPHOSPHONIUM DERIVATIVES AND METHODS OF TREATING CANCER THEREWITH SAINT LOUIS UNIVERSITY (US) 2019-10-17 — — WO disclosed
EP-3137554-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS Ecole Normale Superieure De Lyon (FR) 2017-03-08 — — EP disclosed
US-20170051149-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-02-23 — — US disclosed
US-20170051149-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-02-23 — — US disclosed
WO-2015166295-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2015-11-05 — — WO disclosed
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