SCHEMBL9037367

SCHEMBL9037367

Cc1c([N+](=O)[O-])c[nH]c1C(=O)Nc1cc(C(=O)Nc2n[nH]c(C(=O)NCCC#N)c2C)n(C)n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
CTSB P07858 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
SCHEMBL9039718 0.89 BDKRB1 (0.35) BDKRB1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL9038326 0.84 BDKRB1 (0.35) BDKRB1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL7838761 0.75 MEN1 (0.39) MEN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL7511908 0.75 MAPT (0.34) MEN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL9040554 0.75 HRAS (0.36) BDKRB1MAPT
SCHEMBL7511634 0.74 PRKD1 (0.32) MEN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL7645811 0.73 TOP1 (0.37) MEN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL7506794 0.72 MAPT (0.36) MEN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL7507389 0.72 MAPT (0.36) MEN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL9039586 0.71 ALDH1A1 (0.33) MEN1ALDH1A1KMT2AL3MBTL1MAPT

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-0722446-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1996-07-24 EP disclosed
WO-1996005196-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA S.P.A. (IT) 1996-02-22 WO disclosed