SCHEMBL30506336

SCHEMBL30506336

COc1ccc(-c2noc(C3CCN(C(=O)C4CNC(=O)C4)CC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ MAPT P10636 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ POLB P06746 3/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TUBB4A P04350 2/20 0.51
▸ TUBB P07437 2/20 0.51
▸ TUBA3C P0DPH7 2/20 0.51
▸ TUBA1B P68363 2/20 0.51
▸ TUBA4A P68366 2/20 0.51
▸ TUBB4B P68371 2/20 0.51
▸ TUBB3 Q13509 2/20 0.51
▸ TUBB2A Q13885 2/20 0.51
▸ TUBB8 Q3ZCM7 2/20 0.51
▸ TUBA3E Q6PEY2 2/20 0.51
▸ TUBA1A Q71U36 2/20 0.51
▸ TUBA1C Q9BQE3 2/20 0.51
▸ TUBB6 Q9BUF5 2/20 0.51
▸ TUBB2B Q9BVA1 2/20 0.51

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
SCHEMBL25172097 0.81 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2POLBMEN1
SCHEMBL20116395 0.80 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2POLBTUBB4ATUBB
SCHEMBL30506266 0.80 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2POLBTUBB4ATUBB
SCHEMBL4415594 0.79 HTT (0.57) ALDH1A1MAPTSMN1; SMN2POLBMEN1
SCHEMBL5635354 0.77 MEN1 (0.60) ALDH1A1MAPTSMN1; SMN2POLBMEN1
SCHEMBL20116610 0.77 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20115992 0.77 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20116665 0.77 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20660846 0.77 MAPT (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30584793 0.74 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2POLBMEN1

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-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 — — CN disclosed
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