SCHEMBL23536262

SCHEMBL23536262

C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
POLB P06746 1/20 0.52
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.45
GRM5 P41594 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CTPS1 P17812 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL29931992 1.00 ALDH1A1 (0.53) ALDH1A1POLBKMT2ALMNASMN1; SMN2
SCHEMBL23536206 0.83 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2HTTGRM5
SCHEMBL29931977 0.83 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2HTTGRM5
SCHEMBL23536213 0.81 KMT2A (0.56) ALDH1A1POLBKMT2ALMNASMN1; SMN2
SCHEMBL23536258 0.78 ALDH1A1 (0.47) ALDH1A1POLBKMT2ALMNASMN1; SMN2
SCHEMBL29931922 0.78 ALDH1A1 (0.47) ALDH1A1POLBKMT2ALMNASMN1; SMN2
SCHEMBL3096165 0.78 MAPT (0.62) ALDH1A1POLBKMT2ALMNASMN1; SMN2
SCHEMBL29788336 0.78 TDP1 (0.69) ALDH1A1POLBKMT2ALMNAHTT
SCHEMBL2042488 0.78 TDP1 (0.69) ALDH1A1POLBKMT2ALMNAHTT
SCHEMBL3436153 0.76 MAPT (0.68) ALDH1A1POLBKMT2ALMNASMN1; SMN2

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