SCHEMBL20179646

SCHEMBL20179646

CCN(C(=O)C[C@H]1CC[C@H](N)CC1)[C@@H](C)C(=O)NCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 3/20 0.43
GPR88 Q9GZN0 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.40
CTSK P43235 1/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL20179645 0.85 GPR88 (0.41) GAANPSR1KMT2AMEN1HPGD
SCHEMBL20179555 0.81 HPGD (0.62) GAANPSR1KMT2AMEN1HPGD
SCHEMBL20179720 0.76 GPR88 (0.35) GAANPSR1KMT2AHPGDPOLB
SCHEMBL20179556 0.72 CTSK (0.48) GAANPSR1KMT2AMEN1HPGD
SCHEMBL20179460 0.71 USP2 (0.43) GAANPSR1KMT2AMEN1POLB
SCHEMBL6076695 0.70 KMT2A (0.66) GAAKMT2AMEN1HPGDPOLB
SCHEMBL20363266 0.69 GAA (0.63) GAANPSR1KMT2AMEN1HPGD
SCHEMBL1107021 0.68 GAA (0.62) GAANPSR1KMT2AMEN1HPGD
SCHEMBL6076562 0.68 KMT2A (0.75) KMT2AMEN1HPGDPOLBALDH1A1
SCHEMBL10253878 0.67 GAA (0.60) GAANPSR1KMT2AMEN1HPGD

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
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed