SCHEMBL20149915

SCHEMBL20149915

C[C@H]1CN(c2cccc(F)c2[S@@](C)(=O)=NC(=O)OC(C)(C)C)CCN1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.35
HSD11B1 P28845 2/20 0.34
NOTUM Q6P988 1/20 0.34
XIAP P98170 2/20 0.34
BIRC2 Q13490 2/20 0.34
SCN5A Q14524 1/20 0.34
BRPF1 P55201 2/20 0.33
HTR2C P28335 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33
PIM1 P11309 3/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
STS P08842 1/20 0.32

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
SCHEMBL20129735 1.00 SCN9A (0.35) SCN9AHSD11B1NOTUMXIAPBIRC2
SCHEMBL20129736 1.00 SCN9A (0.35) SCN9AHSD11B1NOTUMXIAPBIRC2
SCHEMBL20129699 0.88 HTR6 (0.41) SCN9ASCN5AALDH1A1SMN1; SMN2
SCHEMBL20141744 0.81 POLB (0.40) ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL20142150 0.81 TP53 (0.44) ALDH1A1LMNAPOLBSTS
SCHEMBL20129702 0.78 PKM (0.37) SCN9ASCN5ANR1H2NR1H3LMNA
SCHEMBL20129727 0.76 ALDH1A1 (0.39) HSD11B1NOTUMHTR2CALDH1A1SMN1; SMN2
SCHEMBL22693287 0.73 STS (0.45) SMN1; SMN2LMNASTS
SCHEMBL20129659 0.71 HTR6 (0.51) LMNA
SCHEMBL21360394 0.71 HTR6 (0.51) LMNA

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed