SCHEMBL21670261

SCHEMBL21670261

CC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
CYP2C19 P33261 1/20 0.69
USP2 O75604 1/20 0.64
GAA P10253 1/20 0.64
ALDH1A1 P00352 3/20 0.62
AKR1C3 P42330 5/20 0.62
AKR1C1 Q04828 2/20 0.62
MAPT P10636 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HTT P42858 2/20 0.60
TSHR P16473 1/20 0.60
KDM4E B2RXH2 1/20 0.59
PKM P14618 1/20 0.59
CCR6 P51684 1/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL21670254 1.00 LMNA (0.70) LMNASMN1; SMN2CYP2C19USP2GAA
SCHEMBL610121 0.88 MAPT (0.77) LMNASMN1; SMN2CYP2C19ALDH1A1AKR1C3
SCHEMBL21669903 0.88 MAPT (0.77) LMNASMN1; SMN2CYP2C19ALDH1A1AKR1C3
SCHEMBL4701073 0.88 MAPT (0.77) LMNASMN1; SMN2CYP2C19ALDH1A1AKR1C3
SCHEMBL21670262 0.86 LMNA (0.70) LMNASMN1; SMN2CYP2C19ALDH1A1AKR1C3
SCHEMBL611585 0.82 TDP1 (0.69) LMNASMN1; SMN2CYP2C19USP2GAA
SCHEMBL611586 0.82 TDP1 (0.69) LMNASMN1; SMN2CYP2C19USP2GAA
SCHEMBL4806165 0.82 LMNA (1.00) LMNASMN1; SMN2CYP2C19ALDH1A1HTT
SCHEMBL612760 0.82 CYP2C19 (1.00) SMN1; SMN2CYP2C19GAAALDH1A1HSD17B10
SCHEMBL611344 0.81 KMT2A (0.78) LMNASMN1; SMN2ALDH1A1TSHR

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-2020028482-A1 SMALL MOLECULES THAT SENSITIZE HIV-1 INFECTED CELLS TO ANTIBODY DEPENDENT CELLULAR CYTOTOXICITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-02-06 WO disclosed