SCHEMBL23535941

SCHEMBL23535941

C[C@@H]1CN(CC2CCN(c3c(F)cc(F)cc3[N+](=O)[O-])CC2)C[C@H](C)O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
MAPT P10636 6/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR174 Q9BXC1 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL29932012 0.85 ALDH1A1 (0.41) ALDH1A1MAPTGAALMNAHTT
SCHEMBL29932007 0.85 ALDH1A1 (0.41) ALDH1A1MAPTGAALMNAHTT
SCHEMBL23536056 0.85 ALDH1A1 (0.41) ALDH1A1MAPTGAALMNAHTT
SCHEMBL23536079 0.85 ALDH1A1 (0.41) ALDH1A1MAPTGAALMNAHTT
SCHEMBL23536258 0.76 ALDH1A1 (0.47) ALDH1A1MAPTGAALMNAHTT
SCHEMBL29931922 0.76 ALDH1A1 (0.47) ALDH1A1MAPTGAALMNAHTT
SCHEMBL23536366 0.75 ALDH1A1 (0.45) ALDH1A1MAPTGAALMNAHTT
SCHEMBL29932075 0.73 ALDH1A1 (0.37) ALDH1A1MAPTGAALMNAHTT
SCHEMBL23536012 0.73 ALDH1A1 (0.37) ALDH1A1MAPTGAALMNAHTT
SCHEMBL8306007 0.71 MAPT (0.53) ALDH1A1MAPTGAALMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed