SCHEMBL16610324

SCHEMBL16610324

CNC(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.73
APBA1 Q02410 1/20 0.73
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 5/20 0.61
POLB P06746 2/20 0.61
HPGD P15428 1/20 0.61
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 2/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
APEX1 P27695 1/20 0.55
TP53 P04637 2/20 0.55
ALOX15 P16050 1/20 0.55
AGER Q15109 1/20 0.54

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
SCHEMBL10153970 0.96 CACNA1B (0.67) CACNA1BAPBA1MEN1KMT2AALDH1A1
SCHEMBL18019596 0.92 NPC1 (0.69) CACNA1BAPBA1MEN1KMT2APOLB
SCHEMBL13210697 0.92 CACNA1B (0.85) CACNA1BAPBA1MEN1KMT2AALDH1A1
SCHEMBL16610174 0.87 TSHR (0.63) CACNA1BAPBA1MEN1KMT2AALDH1A1
SCHEMBL13986883 0.86 CACNA1B (0.76) CACNA1BAPBA1MEN1KMT2AALDH1A1
SCHEMBL13126272 0.86 NPC1 (0.63) CACNA1BAPBA1MEN1KMT2AALDH1A1
SCHEMBL22461605 0.85 CACNA1B (0.79) CACNA1BAPBA1MEN1KMT2AALDH1A1
SCHEMBL22461604 0.85 CACNA1B (0.79) CACNA1BAPBA1MEN1KMT2AALDH1A1
SCHEMBL15948317 0.85 CACNA1B (0.73) CACNA1BAPBA1MEN1KMT2AALDH1A1
SCHEMBL12200275 0.85 RAB9A (0.85) MEN1KMT2AALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230055430-A1 SUPRAMOLECULAR ADDITIVES FOR SEMICRYSTALLINE PLASTICS THE UNIVERSITY OF AKRON 2023-02-23 US disclosed
US-9982117-B2 Thermoset rubber reinforced by supramolecule building blocks THE UNIVERSITY OF AKRON (US) 2018-05-29 US disclosed
US-20160237261-A1 THERMOSET RUBBER REINFORCED BY SUPRAMOLECULE BUILDING BLOCKS THE UNIVERSITY OF AKRON 2016-08-18 US disclosed
WO-2015048398-A2 THERMOSET RUBBER REINFORCED BY SUPRAMOLECULE BUILDING BLOCKS THE UNIVERSITY OF AKRON (US) 2015-04-02 WO disclosed