SCHEMBL29948580

SCHEMBL29948580

O=[N+]([O-])c1ccccc1N1CCC2(CC1)OCCO2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
GAA P10253 2/20 0.57
ALDH1A1 P00352 9/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 3/20 0.52
LMNA P02545 3/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 3/20 0.49
MITF O75030 1/20 0.47
MAPK1 P28482 1/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR1A P08908 1/20 0.46
CTSB P07858 1/20 0.46
GRM5 P41594 1/20 0.45
HSD11B1 P28845 1/20 0.44

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
SCHEMBL6074155 1.00 SMN1; SMN2 (0.57) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL4555801 0.81 SMN1; SMN2 (0.53) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL1274938 0.81 HTT (0.73) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL5095834 0.80 HTT (0.56) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL30779614 0.80 CTSB (0.68) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL2206983 0.80 CTSB (0.68) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL23043706 0.79 HTR1A (0.60) SMN1; SMN2GAAALDH1A1KMT2AHTT
SCHEMBL3799173 0.77 CTSB (0.65) SMN1; SMN2GAAALDH1A1KMT2AHTT
SCHEMBL29937743 0.77 CTSB (0.65) SMN1; SMN2GAAALDH1A1KMT2AHTT
SCHEMBL7118705 0.77 HTT (0.64) SMN1; SMN2GAAALDH1A1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed