SCHEMBL13458552

SCHEMBL13458552

C=C1CC=C(c2ccncc2[N+](=O)[O-])CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 5/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.34
GAA P10253 2/20 0.33
CHUK O15111 1/20 0.30
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL1711705 0.84 KMT2A (0.38) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL4439245 0.77 MEN1 (0.42) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL1711668 0.76 KMT2A (0.38) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL27191787 0.75 GPBAR1 (0.43) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL15770800 0.75 HTR2C (0.41) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL1711669 0.73 MEN1 (0.41) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL13458086 0.73 MEN1 (0.41) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL15770868 0.73 SLC6A4 (0.47) POLB
SCHEMBL1711061 0.73 KMT2A (0.41) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL1711463 0.70 KMT2A (0.41) KMT2AMEN1ALDH1A1HTTRAB9A

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
WO-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed