SCHEMBL9272614

SCHEMBL9272614

NCCC[C@H](NC(N)=N[N+](=O)[O-])C(=O)OS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR10 P46092 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31

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
SCHEMBL9199382 0.78 CA1 (0.39) —
SCHEMBL9199366 0.72 TLR2 (0.33) ALDH1A1
SCHEMBL8114996 0.71 RAB9A (0.43) CCR10
SCHEMBL8115000 0.71 RAB9A (0.43) CCR10
Hydrochloric Acid SCHEMBL8526277 0.71 NOS1 (0.35) —
SCHEMBL9272596 0.69 ALDH1A1 (0.32) CCR10ALDH1A1
SCHEMBL8112071 0.68 MMP2 (0.39) CCR10
SCHEMBL4377921 0.66 MMP2 (0.38) —
SCHEMBL8118999 0.65 NPY1R (0.42) CCR10F2
SCHEMBL8112361 0.65 MC4R (0.34) ALDH1A1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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