SCHEMBL23536183

SCHEMBL23536183

C[C@@H]1CC(OC2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GPR174 Q9BXC1 5/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SCD O00767 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL23536167 0.81 MEN1 (0.34) GAAMEN1KMT2A
SCHEMBL14804540 0.80 ALDH1A1 (0.58) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL29932012 0.77 ALDH1A1 (0.41) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL29932007 0.77 ALDH1A1 (0.41) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL23536056 0.77 ALDH1A1 (0.41) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL23536079 0.77 ALDH1A1 (0.41) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL29932397 0.77 ALDH1A1 (0.38) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL23536364 0.77 ALDH1A1 (0.38) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL23536366 0.76 ALDH1A1 (0.45) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL14804530 0.74 ALDH1A1 (0.44) ALDH1A1MAPTLMNAGAAHTT

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 3 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
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed