SCHEMBL6368947

SCHEMBL6368947

CN(Cc1c2ccccc2c(CNCC(=O)OC(C)(C)C)c2ccccc12)C(=O)Cc1ccccc1CC(=O)N(C)Cc1c2ccccc2c(CN(C)C(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ HTR2C P28335 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ GLS O94925 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ VSIR Q9H7M9 1/20 0.32
▸ PTPRC P08575 2/20 0.32

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
SCHEMBL6368945 0.96 KMT2A (0.33) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL6363912 0.90 BCHE (0.34) KMT2ACTSLCTSBCTSSGBA1
SCHEMBL6363734 0.89 KMT2A (0.35) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL6363322 0.89 ACHE (0.38) CTSLCTSBCTSSGBA1HTR2C
SCHEMBL6369123 0.89 ACHE (0.38) CTSLCTSBCTSSGBA1HTR2C
SCHEMBL6368953 0.88 HTR2C (0.39) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL6367822 0.87 KMT2A (0.42) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL6363355 0.87 ALDH1A1 (0.36) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL6369120 0.86 KMT2A (0.37) KMT2AMEN1GBA1HTR2CSLC6A4
SCHEMBL6364351 0.85 GBA1 (0.34) KMT2AMEN1GBA1HTR2CSLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916660-B2 Fluorescent sensor compounds for detecting saccharides NORTH CAROLINA STATE UNIVERSITY (US) 2005-07-12 — — US disclosed
US-20040048390-A1 Fluorescent sensor compounds for detecting saccharides NORTH CAROLINA STATE UNIVERSITY 2004-03-11 — — US disclosed
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