SCHEMBL21863532

SCHEMBL21863532

Cn1ncc(I)c1C1CC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
MAP4K1 Q92918 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
SCHEMBL12967352 0.77 MAP4K4 (0.40) MGLLKEAP1NFE2L2MAP4K1
SCHEMBL21848989 0.76 MGLL (0.30) MGLL
SCHEMBL17624320 0.72
SCHEMBL26034466 0.72 PLAT (0.35) MGLLKEAP1NFE2L2
SCHEMBL12939806 0.72 MGLL (0.30) MGLL
SCHEMBL28920931 0.71 ALDH1A1 (0.35) MGLLPIM2KEAP1NFE2L2
SCHEMBL31192972 0.71 KDM4E (0.30)
SCHEMBL22288293 0.70 MAPK1 (0.45) PIM1PIM3PIM2MAP4K1
SCHEMBL24656006 0.69 PIM1 (0.31) MGLLPIM1PIM2
SCHEMBL31662967 0.68 MGLL (0.42) MGLLKEAP1NFE2L2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed