SCHEMBL23536258

SCHEMBL23536258

C[C@@H]1CN(CC2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 2/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.44
ACHE P22303 1/20 0.43
POLB P06746 1/20 0.42
HSD11B1 P28845 1/20 0.42
DRD4 P21917 1/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
HTR1A P08908 3/20 0.40
GAA P10253 2/20 0.40
MITF O75030 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 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
SCHEMBL29931922 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL29932007 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL29932012 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL23536079 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL23536056 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL23536225 0.82 CTSB (0.49) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL29931897 0.82 CTSB (0.49) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL23536096 0.79 MEN1 (0.56) ALDH1A1KDM4EHTTKMT2ASMN1; SMN2
SCHEMBL23536262 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1HTTKMT2A
SCHEMBL29931992 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1HTTKMT2A

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