SCHEMBL28984301

SCHEMBL28984301

COc1cc(C(=O)/C(C)=C/c2c[nH]c3ccccc23)cc(OC)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 3/20 0.53
▸ TUBB P07437 3/20 0.53
▸ TUBA3C P0DPH7 3/20 0.53
▸ TUBA1B P68363 3/20 0.53
▸ TUBA4A P68366 3/20 0.53
▸ TUBB4B P68371 3/20 0.53
▸ TUBB3 Q13509 3/20 0.53
▸ TUBB2A Q13885 3/20 0.53
▸ TUBB8 Q3ZCM7 3/20 0.53
▸ TUBA3E Q6PEY2 3/20 0.53
▸ TUBA1A Q71U36 3/20 0.53
▸ TUBA1C Q9BQE3 3/20 0.53
▸ TUBB6 Q9BUF5 3/20 0.53
▸ TUBB2B Q9BVA1 3/20 0.53
▸ TUBB1 Q9H4B7 3/20 0.53
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 8/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL22950695 0.87 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30734329 0.87 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29827249 0.87 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28984308 0.86 TUBB1 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28984306 0.86 MTNR1A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28984313 0.85 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29827171 0.85 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28984314 0.85 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28984293 0.85 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31238100 0.84 TUBB1 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535068-B Pyridine substituted chalcone compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2022-07-29 — — CN disclosed
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