SCHEMBL9550381

SCHEMBL9550381

N#CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.61
NGFR P08138 1/20 0.61
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
FTO Q9C0B1 2/20 0.58
PABPC1 P11940 2/20 0.58
LCK P06239 1/20 0.57
POLB P06746 5/20 0.57
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
S1PR1 P21453 1/20 0.57
HTT P42858 1/20 0.57
RAD52 P43351 1/20 0.57
RECQL P46063 1/20 0.57
RAB9A P51151 1/20 0.57
PAX8 Q06710 1/20 0.57

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
SCHEMBL28125149 0.86 MEN1 (0.64) NTRK1NGFRMEN1KMT2AFTO
SCHEMBL7703786 0.82 MEN1 (0.67) NTRK1NGFRMEN1KMT2AFTO
SCHEMBL12237994 0.82 FTO (0.69) NTRK1NGFRMEN1KMT2AFTO
SCHEMBL13495360 0.81 FTO (0.61) NTRK1NGFRMEN1KMT2AFTO
SCHEMBL5160430 0.80 CA12 (0.69) NTRK1NGFRMEN1KMT2AFTO
SCHEMBL1901643 0.79 FTO (0.72) NTRK1NGFRMEN1KMT2AFTO
SCHEMBL9550468 0.79 ERCC1 (0.57) MEN1KMT2AMAPTKDM4EMCL1
SCHEMBL11438964 0.78 FTO (0.68) NTRK1NGFRMEN1KMT2AFTO
SCHEMBL717142 0.78 CA12 (0.74) NTRK1NGFRMEN1KMT2AFTO
SCHEMBL5144919 0.77 SCN2A (0.70) NTRK1NGFRMEN1KMT2AFTO

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed