SCHEMBL13506002

SCHEMBL13506002

Cc1cnc(C)c(C(=O)c2nc(C)cnc2C)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
JAK3 P52333 1/20 0.34
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
POLB P06746 3/20 0.32
DGAT1 O75907 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3504558 0.84 SMN1; SMN2 (0.40) GRM5JAK3KDM4EKMT2AGAA
SCHEMBL30901847 0.84 SMN1; SMN2 (0.40) GRM5JAK3KDM4EKMT2AGAA
SCHEMBL2408636 0.84 KDM4E (0.40) GRM5JAK3KDM4EKMT2AHPGD
SCHEMBL1045191 0.83 HTT (0.44) GRM5KMT2AGAAHPGDSMN1; SMN2
SCHEMBL28915362 0.83 DGAT1 (0.43) GRM5KDM4EKMT2APOLBDGAT1
SCHEMBL8012352 0.79 GRM5 (0.35) GRM5JAK3KDM4EKMT2ASMN1; SMN2
SCHEMBL9782944 0.79 GRM5 (0.35) GRM5JAK3KDM4EKMT2AGAA
SCHEMBL438294 0.79 NPSR1 (0.50) GRM5KDM4EKMT2AHPGDSMN1; SMN2
SCHEMBL30803903 0.79 NPSR1 (0.50) GRM5KDM4EKMT2AHPGDSMN1; SMN2
SCHEMBL28349953 0.78 ALDH1A1 (0.45) KDM4EKMT2AHPGDSMN1; SMN2POLB

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-20100038592-A1 COMPOSITION AND LIGHT-EMITTING ELEMENT COMPRISING THE COMPOSITION SUMATION CO., LTD. (JP) 2010-02-18 US disclosed
US-20100038592-A1 COMPOSITION AND LIGHT-EMITTING ELEMENT COMPRISING THE COMPOSITION SUMATION CO., LTD. (JP) 2010-02-18 US disclosed