SCHEMBL24645112

SCHEMBL24645112

Cc1cc(OCc2ncccn2)cc(=O)n1[C@H](C)c1ccc(C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 7/20 0.38
FFAR1 O14842 2/20 0.38
HTT P42858 1/20 0.36
CREBBP Q92793 1/20 0.35
CYP26A1 O43174 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAOB P27338 2/20 0.34
TP53 P04637 1/20 0.34
GRM5 P41594 1/20 0.34
MET P08581 1/20 0.34
PDE9A O76083 1/20 0.34

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
SCHEMBL24644660 0.89 TP53 (0.34) FFAR1TP53
SCHEMBL24645036 0.88 TP53 (0.33) FFAR1TP53
SCHEMBL24644929 0.88 HCRTR2 (0.36) TP53GRM5
SCHEMBL24644643 0.88 HCRTR2 (0.36) TP53GRM5
SCHEMBL24644928 0.87 TP53 (0.33) TP53
SCHEMBL24645017 0.87 ACACB (0.33) FFAR1TP53
SCHEMBL27354517 0.86 IDH1 (0.34) KDM4EGAAMAPTFFAR1HTT
SCHEMBL24644926 0.86 TP53 (0.42) KDM4ECYP3A4TP53MET
SCHEMBL24644822 0.85 ALOX5AP (0.38) MAOBTP53
SCHEMBL24645058 0.85 TP53 (0.45) KDM4EGAAMAPTFFAR1HTT

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-2022167445-A1 GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2022-08-11 WO disclosed