SCHEMBL30900358

SCHEMBL30900358

COc1ccc(N2CC3CC2CN3C)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 2/20 0.44
▸ TUBB P07437 2/20 0.44
▸ TUBA3C P0DPH7 2/20 0.44
▸ TUBA1B P68363 2/20 0.44
▸ TUBA4A P68366 2/20 0.44
▸ TUBB4B P68371 2/20 0.44
▸ TUBB3 Q13509 2/20 0.44
▸ TUBB2A Q13885 2/20 0.44
▸ TUBB8 Q3ZCM7 2/20 0.44
▸ TUBA3E Q6PEY2 2/20 0.44
▸ TUBA1A Q71U36 2/20 0.44
▸ TUBA1C Q9BQE3 2/20 0.44
▸ TUBB6 Q9BUF5 2/20 0.44
▸ TUBB2B Q9BVA1 2/20 0.44
▸ TUBB1 Q9H4B7 2/20 0.44
▸ ALDH1A1 P00352 8/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ KMT2A Q03164 4/20 0.40

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
SCHEMBL22652198 0.80 ALDH1A1 (0.36) ALDH1A1SIRT6HSD11B1MAPTMAPK1
SCHEMBL22652044 0.80 ALDH1A1 (0.36) ALDH1A1SIRT6HSD11B1MAPTMAPK1
SCHEMBL6887537 0.79 SIRT6 (0.58) ALDH1A1SIRT6HSD11B1MAPTHTT
SCHEMBL6870382 0.79 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30900450 0.78 BRAF (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22652110 0.78 MAPT (0.38) ALDH1A1SIRT6HSD11B1MAPTMAPK1
SCHEMBL26677915 0.78 MAPT (0.38) ALDH1A1SIRT6HSD11B1MAPTMAPK1
SCHEMBL22652007 0.77 KCNH2 (0.35) ALDH1A1SIRT6LMNAHSD11B1MAPT
SCHEMBL9145647 0.76 SIRT6 (0.46) ALDH1A1SIRT6LMNAKMT2AMEN1
SCHEMBL9145657 0.76 SIRT6 (0.46) ALDH1A1SIRT6LMNAKMT2AMEN1

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-117658987-A Compounds as PLK1 inhibitors, and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-03-08 — — CN disclosed
Send feedback