SCHEMBL9972165

SCHEMBL9972165

CC(=O)CN1CCN(CC(=O)O)CCN(Cc2ccc(CC(=O)NCCN3C(=O)C=CC3=O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.41
FAAH O00519 3/20 0.40
ACHE P22303 3/20 0.40
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL9612244 0.95 KMT2A (0.47) KMT2AGAASMN1; SMN2ALDH1A1POLB
SCHEMBL17586498 0.93 KMT2A (0.44) KMT2AGAASMN1; SMN2ALDH1A1POLB
SCHEMBL16356426 0.89 GAA (0.46) KMT2AGAASMN1; SMN2ALDH1A1POLB
SCHEMBL16526510 0.88 KMT2A (0.42) KMT2AGAASMN1; SMN2ALDH1A1POLB
SCHEMBL17029296 0.88 KMT2A (0.42) KMT2AGAASMN1; SMN2ALDH1A1POLB
SCHEMBL9612258 0.82 AKT1 (0.43) KMT2AGAASMN1; SMN2ALDH1A1POLB
SCHEMBL15290261 0.81 HDAC1 (0.48) KMT2AALDH1A1CYP2D6ACHE
SCHEMBL15362875 0.79 ALDH1A1 (0.44) KMT2AGAASMN1; SMN2ALDH1A1TSHR
SCHEMBL1064815 0.79 ALDH1A1 (0.44) KMT2AGAASMN1; SMN2ALDH1A1TSHR
SCHEMBL22421442 0.78 KMT2A (0.43) KMT2AGAASMN1; SMN2ALDH1A1POLB

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-8202509-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2012-06-19 US disclosed