SCHEMBL626672

SCHEMBL626672

O=C(Nc1nc2c(s1)CCCC2)C(OC1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.62
ALDH1A1 P00352 6/20 0.53
LMNA P02545 4/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
USP2 O75604 2/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
RECQL P46063 2/20 0.53
ESR1 P03372 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
APEX1 P27695 1/20 0.53
APOBEC3A P31941 1/20 0.53
CYP2C19 P33261 1/20 0.53
MCL1 Q07820 1/20 0.53
ESR2 Q92731 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53

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
SCHEMBL185238 0.84 GCK (0.77) GCK
SCHEMBL626483 0.83 GCK (0.65) GCKALDH1A1LMNAUSP2SMN1; SMN2
SCHEMBL184507 0.78 GCK (0.75) GCKALDH1A1KDM4E
SCHEMBL185059 0.77 GCK (1.00) GCK
SCHEMBL184453 0.76 GCK (1.00) GCKALDH1A1LMNAKMT2AMAPT
SCHEMBL185316 0.76 GCK (0.79) GCK
SCHEMBL624715 0.75 GCK (0.57) GCK
SCHEMBL184038 0.75 GCK (0.68) GCKALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL184398 0.75 GCK (0.80) GCKALDH1A1KMT2AUSP2MEN1
SCHEMBL11971963 0.74 GCK (0.77) GCK

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-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO claimed