SCHEMBL28107995

SCHEMBL28107995

CC(c1ccc2c3c(cccc13)C(=O)NC2=O)C1CNCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 2/20 0.40
PARP1 P09874 2/20 0.40
RGS12 O14924 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
APEX1 P27695 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
MTOR P42345 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 1/20 0.40
GNAI1 P63096 1/20 0.40
HBB P68871 1/20 0.40

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
SCHEMBL28107993 0.84 PARP1 (0.40) MEN1CYP3A4CYP2C9KMT2APARP1
SCHEMBL8556232 0.82 SSTR4 (0.37) MEN1CYP3A4CYP2C9KMT2ASSTR4
SCHEMBL8555645 0.73 SLC6A2 (0.33) MEN1CYP3A4CYP2C9KMT2ASSTR4
SCHEMBL14525290 0.73 MEN1 (0.57) MEN1CYP3A4CYP2C9KMT2APARP1
SCHEMBL28232961 0.70 CYP1B1 (0.44) MEN1KMT2APOLBMAPTTHRB
SCHEMBL28227519 0.70 SSTR4 (0.46) MEN1CYP3A4CYP2C9KMT2ASSTR4
SCHEMBL28227466 0.69 SSTR4 (0.47) MEN1CYP3A4CYP2C9KMT2ASSTR4
SCHEMBL7408917 0.67 SLC6A2 (0.43) MEN1CYP3A4CYP2C9KMT2ASSTR4
SCHEMBL8559709 0.67 SLC6A2 (0.36) MEN1CYP3A4CYP2C9KMT2ASSTR4
SCHEMBL1961849 0.66 SLC6A2 (0.57) MEN1CYP3A4CYP2C9KMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008342-B A kind of fluorescence probe and preparation method thereof detecting formaldehyde in cytase body 济南大学 2018-08-21 CN claimed
CN-108129459-A A kind of novel fluorescence probe and its application for being used to detect sulfur dioxide 济南大学 2018-06-08 CN claimed
CN-107325095-A A kind of lysosome hypochlorous acid fluorescence probe and its preparation method and application 济南大学 2017-11-07 CN claimed
CN-107325095-B A kind of lysosome hypochlorous acid fluorescence probe and its preparation method and application 济南大学 2019-03-15 CN disclosed
CN-106008342-B A kind of fluorescence probe and preparation method thereof detecting formaldehyde in cytase body 济南大学 2018-08-21 CN disclosed
CN-108129459-A A kind of novel fluorescence probe and its application for being used to detect sulfur dioxide 济南大学 2018-06-08 CN disclosed
CN-107325095-A A kind of lysosome hypochlorous acid fluorescence probe and its preparation method and application 济南大学 2017-11-07 CN disclosed
CN-106008342-A Fluorescent probe for detecting formaldehyde in cytolysosome and preparation method thereof 济南大学 2016-10-12 CN disclosed