SCHEMBL21548860

SCHEMBL21548860

CC(C)(CN1CCC(n2cc([N+](=O)[O-])cn2)CC1)N=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAP3K7 O43318 1/20 0.31
TAB1 Q15750 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL24222179 0.88 SIGMAR1 (0.38) DRD4SIGMAR1L3MBTL1ALDH1A1MAP3K7
SCHEMBL21526388 0.86 ACVR1 (0.38) DRD4SIGMAR1L3MBTL1ALDH1A1MAP3K7
SCHEMBL22648384 0.81 ALDH1A1 (0.40) DRD4SIGMAR1L3MBTL1ALDH1A1GSK3B
SCHEMBL22648279 0.79 SIGMAR1 (0.47) DRD4SIGMAR1L3MBTL1ALDH1A1
SCHEMBL1558099 0.77 SIRT6 (0.40) L3MBTL1ALDH1A1MAP3K7TAB1GSK3B
SCHEMBL16513259 0.77 DYRK1A (0.40) DRD4SIGMAR1L3MBTL1ALDH1A1MAP3K7
SCHEMBL1558028 0.77 SIGMAR1 (0.40) DRD4SIGMAR1L3MBTL1ALDH1A1MAP3K7
SCHEMBL174612 0.76 F2 (0.41) DRD4SIGMAR1L3MBTL1ALDH1A1MAPT
SCHEMBL23612222 0.76 GSK3B (0.43) DRD4SIGMAR1L3MBTL1ALDH1A1GSK3B
SCHEMBL21526529 0.76 FGFR1 (0.41) DRD4SIGMAR1

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-3564232-A1 BMP-SIGNAL-INHIBITING COMPOUND Riken (JP) 2019-11-06 EP disclosed