SCHEMBL28623840

SCHEMBL28623840

CC(C)(C)S(=O)(=O)N1CC(=O)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.38
RIPK1 Q13546 5/20 0.36
NTRK1 P04629 5/20 0.35
JAK2 O60674 2/20 0.35
PKM P14618 1/20 0.35
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 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
SCHEMBL28623843 1.00 DPP4 (0.38) DPP4RIPK1NTRK1JAK2PKM
SCHEMBL22013225 0.77 RIPK1 (0.38) DPP4RIPK1NTRK1JAK2KDM1A
SCHEMBL22013223 0.77 TRPA1 (0.44) DPP4RIPK1NTRK1KDM1AKDM1B
SCHEMBL23825285 0.77 RIPK1 (0.38) DPP4RIPK1NTRK1JAK2KDM1A
SCHEMBL29200705 0.77 RIPK1 (0.38) DPP4RIPK1NTRK1JAK2KDM1A
SCHEMBL28613334 0.76 TRPA1 (0.45) DPP4RIPK1NTRK1JAK2KDM1A
SCHEMBL28613335 0.76 TRPA1 (0.45) DPP4RIPK1NTRK1JAK2KDM1A
SCHEMBL15017030 0.73 RIPK1 (0.39) DPP4RIPK1NTRK1JAK2PKM
SCHEMBL15016954 0.73 RIPK1 (0.41) DPP4RIPK1NTRK1JAK2KDM1A
SCHEMBL21313054 0.72 NTRK1 (0.42) NTRK1JAK2

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
CN-113242857-A Preparation and application of imidazo aromatic ring compounds 上海轶诺药业有限公司 2021-08-10 CN disclosed