SCHEMBL8112073

SCHEMBL8112073

NC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])N(Cc1cc(Cl)c(N)c(Cl)c1)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 9/20 0.36
▸ PSEN2 P49810 9/20 0.36
▸ APH1B Q8WW43 9/20 0.36
▸ NCSTN Q92542 9/20 0.36
▸ APH1A Q96BI3 9/20 0.36
▸ PSENEN Q9NZ42 9/20 0.36
▸ BMP1 P13497 5/20 0.34
▸ CCR10 P46092 2/20 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
SCHEMBL8119000 0.92 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8126778 0.79 HSD11B1 (0.34) —
SCHEMBL8126579 0.79 TACR1 (0.37) —
SCHEMBL8112794 0.78 F2 (0.33) —
SCHEMBL8122655 0.78 TMEM97 (0.33) —
SCHEMBL8115107 0.78 F2 (0.33) —
SCHEMBL8121505 0.77 NPC1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8121140 0.76 F2 (0.36) CCR10
SCHEMBL8114286 0.76 OPRM1 (0.33) —
SCHEMBL8112071 0.76 MMP2 (0.39) BMP1CCR10

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
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
Send feedback