SCHEMBL6367828

SCHEMBL6367828

CN(Cc1c2ccccc2c(CN(C)C(=O)OC(C)(C)C)c2ccccc12)C(=O)CCc1ccc(CCC(=O)N(C)Cc2c3ccccc3c(CN(C)C(=O)OC(C)(C)C)c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CDK4 P11802 1/20 0.41
▸ HTR2C P28335 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ GLS O94925 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ AKT1 P31749 2/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL6367822 0.89 KMT2A (0.42) KMT2AMEN1HTTL3MBTL1NPC1
SCHEMBL6368953 0.83 HTR2C (0.39) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL6363168 0.81 HTR2C (0.41) KMT2AMEN1HTR2CSLC6A4CTSL
SCHEMBL6363358 0.80 RAB9A (0.43) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL7201152 0.79 KMT2A (0.34) KMT2AMEN1HTTL3MBTL1HTR2C
SCHEMBL5571439 0.78 HTR2C (0.39) KMT2AMEN1NPC1RAB9AHTR2C
SCHEMBL6362442 0.78 HTR2C (0.39) KMT2AMEN1HTR2CSLC6A4CTSL
SCHEMBL6363912 0.78 BCHE (0.34) KMT2ANPC1RAB9AHTR2CSLC6A4
SCHEMBL6369123 0.77 ACHE (0.38) NPC1RAB9AHTR2CSLC6A4CTSL
SCHEMBL6363322 0.77 ACHE (0.38) NPC1RAB9AHTR2CSLC6A4CTSL

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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