SCHEMBL20633460

SCHEMBL20633460

CC1CC(c2ccncc2[N+](=O)[O-])=CC(N)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 4/20 0.34
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
CTSB P07858 1/20 0.31
GALR3 O60755 1/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL13458553 1.00 MEN1 (0.37) MEN1KMT2APIM1PIM3PIM2
SCHEMBL2832661 0.85 PIM1 (0.44) MEN1KMT2APIM1PIM3PIM2
SCHEMBL2832662 0.85 PIM1 (0.44) MEN1KMT2APIM1PIM3PIM2
SCHEMBL1711410 0.85 PIM1 (0.44) MEN1KMT2APIM1PIM3PIM2
SCHEMBL18700540 0.85 PIM1 (0.44) MEN1KMT2APIM1PIM3PIM2
SCHEMBL18427343 0.82 MEN1 (0.35) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL13707746 0.80 MEN1 (0.37) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL13458184 0.79 MEN1 (0.33) MEN1KMT2APIM1PIM3PIM2
SCHEMBL15604496 0.79 MEN1 (0.33) MEN1KMT2APIM1PIM3PIM2
SCHEMBL12697033 0.78 KMT2A (0.36) MEN1KMT2APIM1PIM3PIM2

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
EP-2861585-B1 NOVEL RING-SUBSTITUTED N-PYRIDINYL AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2019-01-09 EP disclosed