SCHEMBL30890258

SCHEMBL30890258

CC(C)(C)OC(=O)N1CC2CCC(C1)N2c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
USP30 Q70CQ3 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
SLC22A12 Q96S37 1/20 0.40
SCN9A Q15858 1/20 0.40
HTT P42858 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL25370697 0.85 ALDH1A1 (0.54) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL30890278 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL27404998 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL30890277 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL31485106 0.83 ALDH1A1 (0.51) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL19211105 0.83 ALDH1A1 (0.51) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL29577097 0.83 ALDH1A1 (0.51) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL2088339 0.83 ALDH1A1 (0.52) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL30890364 0.82 NR1H2 (0.46) GPR119USP30HRH3SCN9ASMN1; SMN2
SCHEMBL21848199 0.82 MAPT (0.62) ALDH1A1MAPTLMNAKMT2APOLB

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
WO-2024227104-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BRAF VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
WO-2024108009-A1 DYRK/CLK PROTACS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-05-23 WO disclosed