SCHEMBL13458086

SCHEMBL13458086

CC1CC=C(c2ccncc2[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.38
HTT P42858 4/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KRAS P01116 1/20 0.34
MAPT P10636 5/20 0.33
SLC6A4 P31645 1/20 0.33
CTSB P07858 1/20 0.32
NR1I2 O75469 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM2 Q14416 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1711061 0.84 KMT2A (0.41) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL17221080 0.81 KMT2A (0.39) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL17221079 0.81 KMT2A (0.39) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL1711066 0.80 GPR119 (0.37) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL15817586 0.80 GPR119 (0.39) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL16525745 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL13458326 0.77 MEN1 (0.40) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL20633041 0.77 MEN1 (0.37) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL9975865 0.76 KRAS (0.36) KRASNR1I2KCNH2GRM2GPR119
SCHEMBL4439245 0.75 MEN1 (0.42) MEN1KMT2AALDH1A1HTTGAA

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