SCHEMBL30955028

SCHEMBL30955028

COC(=O)c1nc2cc(Br)ccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.63
▸ TUBB4A P04350 1/20 0.61
▸ TUBB P07437 1/20 0.61
▸ TUBA3C P0DPH7 1/20 0.61
▸ TUBA1B P68363 1/20 0.61
▸ TUBA4A P68366 1/20 0.61
▸ TUBB4B P68371 1/20 0.61
▸ TUBB3 Q13509 1/20 0.61
▸ TUBB2A Q13885 1/20 0.61
▸ TUBB8 Q3ZCM7 1/20 0.61
▸ TUBA3E Q6PEY2 1/20 0.61
▸ TUBA1A Q71U36 1/20 0.61
▸ TUBA1C Q9BQE3 1/20 0.61
▸ TUBB6 Q9BUF5 1/20 0.61
▸ TUBB2B Q9BVA1 1/20 0.61
▸ TUBB1 Q9H4B7 1/20 0.61
▸ DYRK1A Q13627 3/20 0.57
▸ PPARA Q07869 2/20 0.52
▸ ADORA1 P30542 1/20 0.48
▸ RAB9A P51151 5/20 0.48

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
SCHEMBL21612888 1.00 ALDH1A1 (0.63) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20899481 0.88 ALDH1A1 (0.63) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30039870 0.88 ALDH1A1 (0.63) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28919886 0.84 DYRK1A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2249604 0.83 ALDH1A1 (0.65) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14020936 0.82 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20832544 0.82 ALDH1A1 (0.67) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2251389 0.81 ALDH1A1 (0.58) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4156994 0.81 PPARA (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22479064 0.80 TUBB4A (0.54) 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-112543764-B Amide compound with BET proteolytic induction effect and medical application thereof 田边三菱制药株式会社 2024-05-10 — — CN disclosed
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