SCHEMBL24630337

SCHEMBL24630337

CC(C)C(=O)c1cc(N)nn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
PHGDH O43175 4/20 0.35
FFAR1 O14842 1/20 0.33
DBH P09172 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.30
PDE5A O76074 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
MIF P14174 1/20 0.30
TSHR P16473 1/20 0.30
PDE4A P27815 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 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
SCHEMBL26241947 0.80 KDM4E (0.40) KDM4EGRNSORT1PHGDHMEN1
SCHEMBL8014330 0.79 SMN1; SMN2 (0.43) KDM4EGRNSORT1FFAR1GAA
SCHEMBL3760854 0.79 KDM4E (0.39) KDM4EGRNSORT1PHGDHMEN1
SCHEMBL1663229 0.79 GRN (0.56) KDM4EGRNSORT1PHGDHGAA
SCHEMBL2481607 0.76 ALDH1A1 (0.38) KDM4EGRNSORT1GAAALDH1A1
SCHEMBL26540840 0.75 CCNE1 (0.35) KDM4EGRNSORT1PHGDHFFAR1
SCHEMBL20646935 0.75 GRN (0.67) KDM4EGRNSORT1TSHR
SCHEMBL15182318 0.74 KDM4E (0.36) KDM4EGRNSORT1ADORA1
SCHEMBL17662694 0.74 KDM4E (0.36) KDM4EGRNSORT1MEN1ALDH1A1
SCHEMBL22424005 0.74 BAZ2B (0.47) KDM4EGRNSORT1PHGDHMEN1

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-2022150555-A2 METHODS AND COMPOUNDS FOR TREATING FRIEDREICH'S ATAXIA Design Therapeutics, Inc. (US) 2022-07-14 WO disclosed