SCHEMBL28811018

SCHEMBL28811018

Cn1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c2cc(-c3cccnc3F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ USP30 Q70CQ3 4/20 0.45
▸ HDAC4 P56524 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL28810287 0.86 WNT1 (0.52) WNT1DYRK1AUSP30HDAC4MEN1
SCHEMBL23534247 0.84 WNT1 (0.54) WNT1DYRK1AUSP30HDAC4MEN1
SCHEMBL29753981 0.83 KDM1A (0.54) WNT1DYRK1AALOX5AP
SCHEMBL28810993 0.83 KDM1A (0.54) WNT1DYRK1AALOX5AP
SCHEMBL29753928 0.81 WNT1 (0.47) WNT1DYRK1AUSP30MEN1ALDH1A1
SCHEMBL23533897 0.81 DYRK1A (0.74) WNT1DYRK1A
SCHEMBL29754004 0.81 DYRK1A (0.74) WNT1DYRK1A
SCHEMBL23534341 0.77 DYRK1A (0.69) WNT1DYRK1AUSP30
SCHEMBL2071421 0.73 TP53 (0.52) USP30HDAC4MEN1ALDH1A1KMT2A
SCHEMBL23360639 0.71 PARP1 (0.59) USP30HDAC4MEN1ALDH1A1KMT2A

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-114867718-A Novel indazole derivative and use thereof 韩国化学研究院 2022-08-05 — — CN disclosed
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