SCHEMBL17224276

SCHEMBL17224276

COc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 3/20 0.53
▸ PTGS2 P35354 3/20 0.46
▸ PTGS1 P23219 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40
▸ TUBB6 Q9BUF5 1/20 0.40
▸ TUBB2B Q9BVA1 1/20 0.40

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
SCHEMBL17224277 1.00 TUBB1 (0.53) TUBB1PTGS2PTGS1ALDH1A1CYP1A1
SCHEMBL17224265 0.85 PTGS1 (0.56) PTGS2PTGS1ALDH1A1CYP1A1CYP1B1
SCHEMBL18540732 0.85 PTGS1 (0.56) PTGS2PTGS1ALDH1A1CYP1A1CYP1B1
SCHEMBL17224266 0.85 PTGS1 (0.56) PTGS2PTGS1ALDH1A1CYP1A1CYP1B1
SCHEMBL17224304 0.85 PTGS2 (0.51) TUBB1PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL17224302 0.85 PTGS2 (0.51) TUBB1PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL17224400 0.79 PTGS1 (0.59) TUBB1PTGS1TUBB4ATUBBTUBA3C
SCHEMBL17224314 0.79 TUBB1 (0.53) TUBB1PTGS2PTGS1ALDH1A1TUBB4A
SCHEMBL17224317 0.79 TUBB1 (0.53) TUBB1PTGS2PTGS1ALDH1A1TUBB4A
SCHEMBL20429128 0.79 PTGS1 (0.51) PTGS2PTGS1ALDH1A1MEN1KMT2A

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 6 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
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
WO-2015166295-A1 AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2015-11-05 — — WO disclosed
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