SCHEMBL23536364

SCHEMBL23536364

CC(C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1)N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR174 Q9BXC1 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 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
SCHEMBL29932397 1.00 ALDH1A1 (0.38) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL28867487 0.81 MEN1 (0.33) GAAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL23536056 0.80 ALDH1A1 (0.41) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL29932007 0.80 ALDH1A1 (0.41) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL23536079 0.80 ALDH1A1 (0.41) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL29932012 0.80 ALDH1A1 (0.41) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL23536366 0.78 ALDH1A1 (0.45) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL14804540 0.78 ALDH1A1 (0.58) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL23536183 0.77 ALDH1A1 (0.39) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL23536046 0.74 ALDH1A1 (0.42) ALDH1A1MAPTGAAHTTLMNA

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
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