SCHEMBL8388679

SCHEMBL8388679

Cc1c(NC(=O)c2[nH]cc(NC(=O)c3[nH]cc([N+](=O)[O-])c3C)c2C)c[nH]c1C(=O)NCCC(N)=NO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 7/20 0.36
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 3/20 0.33
KLF10 Q13118 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
MAPT P10636 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPC1 O15118 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
SCHEMBL7810272 0.88 TOP1 (0.41) KMT2AMEN1L3MBTL1MAPK1ALDH1A1
SCHEMBL8540032 0.82 TOP1 (0.35) ALDH1A1POLBMAPTKDM4E
SCHEMBL8445606 0.81 GRM1 (0.30)
SCHEMBL8442855 0.81 GRM1 (0.30)
SCHEMBL9041188 0.80 ALDH1A1 (0.34) KMT2AMEN1L3MBTL1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL7836018 0.79 HDAC6 (0.32)
SCHEMBL7838380 0.78 TOP1 (0.42) POLBMAPTKDM4E
SCHEMBL7811994 0.78 POLB (0.42) KMT2AMEN1L3MBTL1MAPK1ALDH1A1
SCHEMBL4701010 0.78 POLB (0.42) KMT2AMEN1L3MBTL1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL7837252 0.77

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