SCHEMBL10460433

SCHEMBL10460433

O=[C]CN1C(=O)N(c2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.39
MGLL Q99685 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAOA P21397 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL9295944 0.79 SMO (0.39) SMOMGLLMEN1KMT2ALMNA
SCHEMBL10950586 0.79 GAA (0.43) SMOMEN1KMT2ALMNAGAA
SCHEMBL8722998 0.77 GAA (0.41) SMOMEN1KMT2ALMNAGAA
SCHEMBL10954783 0.74 GAA (0.47) KMT2ALMNAGAASMN1; SMN2HDAC1
SCHEMBL2791034 0.74 NPSR1 (0.42) MGLLMEN1KMT2ALMNAGAA
SCHEMBL1561553 0.73 GAA (0.40) SMOMEN1KMT2AGAASMN1; SMN2
SCHEMBL14353735 0.72 MEN1 (0.41) MGLLMEN1KMT2AGAAMAOA
SCHEMBL10335824 0.72 MEN1 (0.43) SMOMGLLMEN1KMT2AGAA
SCHEMBL5075815 0.72 MEN1 (0.41) SMOMGLLMEN1KMT2ALMNA
SCHEMBL11337046 0.70 MEN1 (0.41) MGLLMEN1KMT2ALMNAGAA

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-4954630-A COLORIMETRIC OR FLUORESCENT ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1990-09-04 US claimed