SCHEMBL31500

SCHEMBL31500

C=C(/C=C\C=C/N)C(=O)N1CCN(C(=O)c2ccc3nc(C)c(-c4ccccc4)n3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.58
SLC6A7 Q99884 2/20 0.37
SLC2A1 P11166 1/20 0.37
AKT1 P31749 8/20 0.36
AKT2 P31751 8/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
POLB P06746 2/20 0.35
GBA1 P04062 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 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
SCHEMBL15071152 0.81 F2RL1 (0.75) F2RL1SLC6A7SLC2A1ALDH1A1HPGD
SCHEMBL31518 0.80 F2RL1 (0.72) F2RL1SLC6A7SLC2A1AKT1AKT2
SCHEMBL15071100 0.78 F2RL1 (0.77) F2RL1SLC6A7AKT1AKT2ALDH1A1
SCHEMBL15071160 0.78 F2RL1 (0.67) F2RL1SLC6A7SLC2A1AKT1AKT2
SCHEMBL15071143 0.77 F2RL1 (0.74) F2RL1SLC6A7SLC2A1AKT1AKT2
SCHEMBL15050009 0.77 F2RL1 (0.68) F2RL1SLC6A7SLC2A1AKT1AKT2
SCHEMBL31526 0.76 F2RL1 (0.90) F2RL1SLC2A1HPGDSMN1; SMN2MEN1
SCHEMBL15071158 0.76 F2RL1 (0.73) F2RL1KDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL15049976 0.76 F2RL1 (0.67) F2RL1SLC6A7SLC2A1AKT1AKT2
SCHEMBL15071154 0.75 F2RL1 (0.66) F2RL1SLC6A7SLC2A1AKT1AKT2

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-2012026765-A2 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME (주)네오팜 (KR) 2012-03-01 WO disclosed