SCHEMBL1758396

SCHEMBL1758396

C=CCc1nc(CC=C)n(CC=C)c(=O)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL9358423 0.68 CYP3A4 (0.44) CYP3A4ALDH1A1NPSR1KDM4ECSNK2A2
SCHEMBL796702 0.67 CYP3A4 (0.35) CYP3A4CSNK2A2CSNK2BCSNK2A1
SCHEMBL456737 0.66 ALDH1A1 (0.33) CYP3A4ALDH1A1NPSR1
SCHEMBL11044975 0.64 USP2 (0.41) CYP3A4ALDH1A1USP2NPSR1MEN1
SCHEMBL1499897 0.64 ADORA3 (0.30) ADORA2AADORA2B
SCHEMBL2163308 0.62 PKM (0.68) CYP3A4ALDH1A1NPSR1MEN1KMT2A
SCHEMBL28662 0.61 CYP3A4 (1.00) CYP3A4ALDH1A1USP2NPSR1MEN1
SCHEMBL7646099 0.61 CYP3A4 (0.59) CYP3A4ALDH1A1NPSR1MEN1KMT2A
SCHEMBL11044972 0.61 ADORA2B (0.42) CYP3A4ALDH1A1USP2NPSR1MEN1
SCHEMBL11847478 0.60 CYP3A4 (0.37) CYP3A4ALDH1A1CSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115698137-A Process for preparing multifunctional organosiloxanes and compositions comprising the same 美国陶氏有机硅公司 2023-02-03 CN disclosed
CN-113056502-B Multifunctional organosiloxanes, compositions comprising multifunctional organosiloxanes and methods for preparing the same 美国陶氏有机硅公司 2023-01-24 CN disclosed
CN-111051461-B Dual cure adhesive compositions and methods of making and using the same 美国陶氏有机硅公司 2022-04-26 CN disclosed
CN-111051461-A Dual cure adhesive compositions and methods of making and using the same 美国陶氏有机硅公司 2020-04-21 CN disclosed
US-20110104505-A1 LAMINATED BODY AND CIRCUIT WIRING BOARD SULFUR CHEMICAL LABORATORY INCORPORATED (JP) 2011-05-05 US disclosed