SCHEMBL20886901

SCHEMBL20886901

CCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KCNH2 Q12809 1/20 0.56

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
SCHEMBL20887227 0.91 LMNA (0.57) MEN1KMT2ASMN1; SMN2
SCHEMBL20887230 0.89 LMNA (0.55) MEN1KMT2AKCNH2
SCHEMBL2156435 0.85 ALDH1A1 (0.67) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20887060 0.83 TSHR (0.50) KMT2AMAPTSMN1; SMN2
SCHEMBL20887056 0.83 HSD17B10 (0.55) KMT2AMAPT
SCHEMBL20887048 0.83 TSHR (0.50) KMT2AMAPTSMN1; SMN2
SCHEMBL11100857 0.82 ALDH1A1 (0.75) MAPTSMN1; SMN2KCNH2
SCHEMBL6714846 0.82 ALDH1A1 (0.75) MAPTSMN1; SMN2KCNH2
SCHEMBL20887239 0.81 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20887231 0.81 MEN1 (0.70) MEN1KMT2AMAPTSMN1; SMN2

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
WO-2019071104-A1 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF HYPERAMMONEMIA CHILDREN'S NATIONAL MEDICAL CENTER (US) 2019-04-11 WO disclosed