SCHEMBL8388682

SCHEMBL8388682

CN(CCC(N)=NO)C(=O)n1ccc(N(C)C(=O)n2ccc(N(C)C(=O)n3ccc([N+](=O)[O-])c3)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.34
MAPT P10636 1/20 0.30
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL7812001 0.83
SCHEMBL8540042 0.82 AR (0.33) MAPT
SCHEMBL7810273 0.82 AR (0.36) MAPT
SCHEMBL7838764 0.81 SMN1; SMN2 (0.34) MMP14MAPTSIGMAR1
SCHEMBL9041197 0.80 MMP14 (0.31) MMP14
SCHEMBL8444810 0.78
Hydrochloric Acid SCHEMBL7836021 0.78
Hydrochloric Acid SCHEMBL7837254 0.74
Hydrochloric Acid SCHEMBL7834144 0.73
SCHEMBL7838381 0.71 TOP1 (0.38) MAPT

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-0912509-A1 DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1999-05-06 EP disclosed
WO-1997043258-A1 DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1997-11-20 WO disclosed