SCHEMBL21646635

SCHEMBL21646635

CC(C)Cc1c2c(c(N)c3c1CCC3)CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
GAA P10253 2/20 0.38
EEF2K O00418 1/20 0.37
ACHE P22303 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BPTF Q12830 1/20 0.35
HPGD P15428 5/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 2/20 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
SCHEMBL5186990 0.70 TSHR (0.35) MAPK1ALDH1A1
SCHEMBL18007707 0.66 ACHE (0.44) GAAACHEMAPK1MEN1KMT2A
SCHEMBL24526948 0.65 ACHE (0.41) GAAACHEMAPK1MEN1KMT2A
SCHEMBL21962269 0.65 ACHE (0.35) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL337198 0.65 ACHE (0.48) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL3392143 0.65 ACHE (0.48) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL21646652 0.63 ACHE (0.33) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL170561 0.63
SCHEMBL4531798 0.61
SCHEMBL21646790 0.61

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-2020018975-A1 SULFONIMIDAMIDE COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2020-01-23 WO disclosed