SCHEMBL5997121

SCHEMBL5997121

CC(C)CNc1cccc(-c2nc(-c3ccccc3)cn2C2CCCCC2)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.35
MAPT P10636 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CNR1 P21554 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
ATM Q13315 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL991479 0.67 MAPT (0.46) TTKMAPTMEN1KMT2AALDH1A1
SCHEMBL27842477 0.59 MEN1 (0.48) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL28799465 0.59 KAT2B (0.55) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL8128287 0.59 MAPT (0.39) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL1772257 0.58 TDP1 (0.55) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL9771684 0.58 MAPT (0.54) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6218914 0.58 MAPT (0.41) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL8236017 0.57 KDM4E (0.41) ALDH1A1POLBATMKDM4EHPGD
SCHEMBL29901090 0.57 KAT2B (0.60) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL31533512 0.57 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1CYP1A2

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
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO disclosed