SCHEMBL9039586

SCHEMBL9039586

Cc1c(NC(=O)c2[nH]nc([N+](=O)[O-])c2C)c[nH]c1C(=O)NCCC#N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
KLF10 Q13118 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30
PRKD1 Q15139 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 0.80 BDKRB1 (0.35) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL7825842 0.78 BDKRB1 (0.34)
SCHEMBL7837931 0.78 BDKRB1 (0.32)
SCHEMBL8443434 0.78 GRM1 (0.33)
Hydrochloric Acid SCHEMBL7814609 0.77 GRM1 (0.34)
SCHEMBL8444844 0.76 GRM1 (0.32)
SCHEMBL9038411 0.73 BDKRB1 (0.32) HTT
SCHEMBL7837827 0.72
SCHEMBL9037367 0.71 BDKRB1 (0.32) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL9041188 0.70 ALDH1A1 (0.34) ALDH1A1HTTMEN1KMT2AMAPK1

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