SCHEMBL16855202

SCHEMBL16855202

NCC(CN)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CC(N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.60
▸ MAPT P10636 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ MPO P05164 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ ACE P12821 4/20 0.57
▸ ERAP2 Q6P179 1/20 0.53
▸ ECE1 P42892 3/20 0.52
▸ LTA4H P09960 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ APAF1 O14727 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MMP9 P14780 2/20 0.51

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
SCHEMBL16855056 1.00 KDM4E (0.60) KDM4EMAPTMEN1LMNAMPO
SCHEMBL27678972 0.89 ACE (0.69) KDM4EMAPTMEN1LMNAMPO
SCHEMBL8529176 0.89 ACE (0.69) KDM4EMAPTMEN1LMNAMPO
SCHEMBL1782890 0.89 ACE (0.69) KDM4EMAPTMEN1LMNAMPO
SCHEMBL728052 0.89 ACE (0.69) KDM4EMAPTMEN1LMNAMPO
SCHEMBL16855210 0.87 KDM4E (0.57) KDM4EMAPTMEN1LMNAMPO
SCHEMBL16855205 0.87 KDM4E (0.57) KDM4EMAPTMEN1LMNAMPO
SCHEMBL30051742 0.81 ACE (0.68) ACEERAP2ECE1LTA4HALOX15
SCHEMBL16855193 0.81 ALPI (0.49) ACEECE1
SCHEMBL16855058 0.81 ALPI (0.49) ACEECE1

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
WO-2015094444-A1 SUGAR-FREE SWEETENER BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2015-06-25 — — WO disclosed
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