SCHEMBL29056971

SCHEMBL29056971

Nc1ccc(C(C(=O)O)C(=O)Nc2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.52
▸ KMT2A Q03164 9/20 0.52
▸ NPC1 O15118 8/20 0.52
▸ RAB9A P51151 8/20 0.52
▸ MAPT P10636 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ STAT3 P40763 4/20 0.50
▸ POLB P06746 1/20 0.49
▸ ATG4B Q9Y4P1 2/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ HIPK4 Q8NE63 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ PKM P14618 3/20 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
SCHEMBL29057097 0.87 MEN1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29057006 0.80 ATG4B (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29056981 0.80 MEN1 (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29057019 0.80 LMNA (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29056969 0.80 MEN1 (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29056918 0.74 LMNA (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1394820 0.73 ATG4B (0.58) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1896161 0.72 NPC1 (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL881350 0.72 MEN1 (0.63) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL27713666 0.71 FFAR2 (0.71) MEN1KMT2ANPC1RAB9AMAPT

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-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 — — CN disclosed
Send feedback