SCHEMBL9680449

SCHEMBL9680449

O=C(O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP4 Q02790 1/20 0.55
▸ MME P08473 1/20 0.52
▸ SSTR3 P32745 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ HDAC8 Q9BY41 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL28183355 0.93 MEN1 (0.56) FKBP4SSTR3SMN1; SMN2MEN1KMT2A
SCHEMBL14050124 0.92 FKBP4 (0.57) FKBP4MMESSTR3SMN1; SMN2MEN1
SCHEMBL31098846 0.92 FKBP4 (0.51) FKBP4MMESSTR3SMN1; SMN2MEN1
SCHEMBL14050095 0.91 FKBP4 (0.60) FKBP4MMESSTR3SMN1; SMN2MEN1
SCHEMBL2387136 0.87 SSTR3 (0.57) SSTR3SMN1; SMN2MEN1KMT2AHDAC8
SCHEMBL27355181 0.87 SSTR3 (0.57) SSTR3SMN1; SMN2MEN1KMT2AHDAC8
SCHEMBL10440798 0.85 SSTR3 (0.56) SSTR3SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14027241 0.84 FKBP4 (0.65) FKBP4
SCHEMBL14419882 0.83 HDAC8 (0.48) SSTR3SMN1; SMN2HDAC8HDAC3HDAC4
SCHEMBL29740041 0.83 SSTR3 (0.59) SSTR3SMN1; SMN2MEN1KMT2AMAPT

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
US-5116731-A Chromogenic protease substrate, calcium ions BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 — — US disclosed
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