SCHEMBL9210469

SCHEMBL9210469

C[C@H](CNCCNC[C@@H](C)N1C(=O)c2cc([N+](=O)[O-])cc3c2c(cc2cccnc23)C1=O)N1C(=O)c2cc([N+](=O)[O-])cc3c2c(cc2cccnc23)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CASP6 P55212 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FTO Q9C0B1 2/20 0.40

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
SCHEMBL9040517 0.96 MAPT (0.39) MAPTALDH1A1L3MBTL1KDM4ECASP6
SCHEMBL9080330 0.96 MAPT (0.39) MAPTALDH1A1L3MBTL1KDM4ECASP6
SCHEMBL9218810 0.91 FTO (0.48) MAPTALDH1A1L3MBTL1KDM4ECASP6
SCHEMBL9079682 0.88 FTO (0.45) MAPTALDH1A1L3MBTL1KDM4ECASP6
SCHEMBL9115379 0.85 FTO (0.36) MAPTL3MBTL1KDM4ECASP6KMT2A
SCHEMBL9113483 0.84 FTO (0.47) MAPTL3MBTL1KDM4ECASP6KMT2A
SCHEMBL9211382 0.83 FTO (0.48) MAPTL3MBTL1KDM4ECASP6KMT2A
SCHEMBL9220267 0.82 FTO (0.52) MAPTALDH1A1L3MBTL1KDM4ECASP6
SCHEMBL9048246 0.81 FTO (0.33) MAPTKDM4ECASP6KMT2ALMNA
SCHEMBL9038069 0.81 FTO (0.44) MAPTL3MBTL1KDM4ECASP6KMT2A

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
WO-1995000490-A1 BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-01-05 WO claimed
WO-1995000490-A1 BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-01-05 WO disclosed