SCHEMBL30100928

SCHEMBL30100928

COC(=O)c1coc(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALPL P05186 1/20 0.52
HTT P42858 1/20 0.52
NR4A2 P43354 1/20 0.51
CREBBP Q92793 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45

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
SCHEMBL29197600 0.88 MAPT (0.48) MAPTALPLHTTNR4A2CREBBP
SCHEMBL4416095 0.79 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22644115 0.78 MEN1 (0.63) MAPTNR4A2CREBBPMEN1KMT2A
SCHEMBL21366110 0.77 MAPT (0.72) MAPTALPLHTTNR4A2CREBBP
SCHEMBL17749529 0.76 PDE4B (0.55) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL27792887 0.74 NR4A2 (0.45) MAPTALPLHTTNR4A2CREBBP
SCHEMBL28502410 0.74 JAK2 (0.44) NR4A2CYP3A4
SCHEMBL6428705 0.74 MAPT (0.51) MAPTHTTMEN1KMT2ATUBB4A
SCHEMBL6386434 0.74 HDAC1 (0.65) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29201423 0.73 MAPT (0.53) MAPTALPLHTTNR4A2CREBBP

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-115433176-A Almazole D alkaloid derivative containing thiourea structure and preparation method and application thereof 河北工业大学 2022-12-06 CN disclosed