SCHEMBL28117524

SCHEMBL28117524

COc1ccc(Nc2nc(-c3ccc(CN)cc3)cs2)c(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.80
▸ TUBB P07437 1/20 0.80
▸ TUBA3C P0DPH7 1/20 0.80
▸ TUBA1B P68363 1/20 0.80
▸ TUBA4A P68366 1/20 0.80
▸ TUBB4B P68371 1/20 0.80
▸ TUBB3 Q13509 1/20 0.80
▸ TUBB2A Q13885 1/20 0.80
▸ TUBB8 Q3ZCM7 1/20 0.80
▸ TUBA3E Q6PEY2 1/20 0.80
▸ TUBA1A Q71U36 1/20 0.80
▸ TUBA1C Q9BQE3 1/20 0.80
▸ TUBB6 Q9BUF5 1/20 0.80
▸ TUBB2B Q9BVA1 1/20 0.80
▸ TUBB1 Q9H4B7 1/20 0.80
▸ ALOX5 P09917 4/20 0.74
▸ NPC1 O15118 6/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ MEN1 O00255 8/20 0.61
▸ KMT2A Q03164 8/20 0.61

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
SCHEMBL28117025 0.90 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28331467 0.86 TUBB4A (0.88) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12297172 0.85 TUBB4A (0.86) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26125734 0.85 TUBB4A (0.86) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12297303 0.84 TUBB4A (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12297858 0.83 TUBB4A (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12298268 0.83 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12297173 0.82 TUBB4A (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26136074 0.81 MEN1 (0.83) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28117020 0.81 TUBB4A (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106220582-A N, 4 diaryl thiazole 2 aminated compoundss and the purposes as tumor cell proliferation inhibitor thereof 沈阳药科大学 2016-12-14 — — CN claimed
CN-106220582-A N, 4 diaryl thiazole 2 aminated compoundss and the purposes as tumor cell proliferation inhibitor thereof 沈阳药科大学 2016-12-14 — — CN disclosed
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