SCHEMBL19795252

SCHEMBL19795252

CN(CC(=O)NCc1ccccc1F)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
PTGER1 P34995 1/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
RIPK1 Q13546 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL19236805 0.82 CFD (0.55)
SCHEMBL19795647 0.80 MEN1 (0.50) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL19444721 0.75 RAB9A (0.61) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL2905302 0.75 RIPK1 (0.62) KMT2AMEN1SMN1; SMN2HPGDRIPK1
SCHEMBL30192682 0.75 RIPK1 (0.62) KMT2AMEN1SMN1; SMN2HPGDRIPK1
Hydrochloric Acid SCHEMBL30279534 0.73 RIPK1 (0.60) KMT2APTGER1MEN1SMN1; SMN2HPGD
SCHEMBL14451968 0.73 SLC6A2 (0.49) KMT2AMEN1SMN1; SMN2RIPK1ALDH1A1
SCHEMBL5072892 0.72 PKM (0.66) KMT2AHPGDTDP1ALDH1A1LMNA
SCHEMBL23134945 0.71 HPGD (0.57) KMT2AMEN1SMN1; SMN2HPGDRIPK1
SCHEMBL4038051 0.71 HPGD (0.57) KMT2AMEN1SMN1; SMN2HPGDRIPK1

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-2018015818-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-25 WO disclosed