SCHEMBL9670557

SCHEMBL9670557

COc1cc(C(=O)c2ccc(C#N)c(O)n2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 5/20 0.47
▸ TUBB P07437 5/20 0.47
▸ TUBA3C P0DPH7 5/20 0.47
▸ TUBA1B P68363 5/20 0.47
▸ TUBA4A P68366 5/20 0.47
▸ TUBB4B P68371 5/20 0.47
▸ TUBB3 Q13509 5/20 0.47
▸ TUBB2A Q13885 5/20 0.47
▸ TUBB8 Q3ZCM7 5/20 0.47
▸ TUBA3E Q6PEY2 5/20 0.47
▸ TUBA1A Q71U36 5/20 0.47
▸ TUBA1C Q9BQE3 5/20 0.47
▸ TUBB6 Q9BUF5 5/20 0.47
▸ TUBB2B Q9BVA1 5/20 0.47
▸ TUBB1 Q9H4B7 5/20 0.47
▸ EGFR P00533 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 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
SCHEMBL9668727 0.80 KMT2A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1336799 0.76 TUBB1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2129037 0.73 GAA (0.43) KDM4EALDH1A1LMNAHPGD
SCHEMBL1337858 0.72 CNR2 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1337332 0.72 TUBB1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12130407 0.72 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7373217 0.70 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1337401 0.70 TUBB1 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4819729 0.70 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1337868 0.69 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 — — US claimed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 — — EP claimed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 — — US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 — — EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 — — EP disclosed
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