SCHEMBL20034909

SCHEMBL20034909

CSC(C)CCCCNC(=O)CON

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
CASP2 P42575 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.30
NAAA Q02083 1/20 0.30
RAB9A P51151 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
SCHEMBL20034810 0.83 FAAH (0.41) FAAHKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL254104 0.82 FAAH (0.44) FAAHKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL18159035 0.79 FAAH (0.38) FAAHKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL19224050 0.75 MEN1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2CASP2
SCHEMBL19703570 0.75 ALDH1A1 (0.39) FAAHKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL19703878 0.74 FAAH (0.62) FAAHKMT2AMEN1DPP7CASP2
SCHEMBL1059272 0.74 OTC (0.54) TSHR
SCHEMBL515567 0.74 OTC (0.54) TSHR
SCHEMBL14282705 0.74 FOLH1 (0.40) FAAHKMT2AMEN1SMN1; SMN2
SCHEMBL23584015 0.73 FAAH (0.66) FAAHKMT2AMEN1CASP2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed