SCHEMBL9066958

SCHEMBL9066958

CN[C@H]1C[C@@]2(C)CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 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
SCHEMBL9067427 1.00 PKM (0.43) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL9066498 0.82 PKM (0.45) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL9066560 0.82 PKM (0.45) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL9068004 0.82 PKM (0.45) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL9067095 0.82 PKM (0.45) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL9066296 0.81 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRLMNA
SCHEMBL9066298 0.81 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRLMNA
SCHEMBL9066820 0.72 GAA (0.47) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL7849121 0.72 GAA (0.47) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL21595352 0.72 ALDH1A1 (0.40) PKMALDH1A1HTTPOLBKMT2A

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
US-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US disclosed