SCHEMBL4999938

SCHEMBL4999938

O=[N+]([O-])c1ccc(-c2ccccc2)cc1C1(C2(c3ccccc3[N+](=O)[O-])N=C(c3ccccc3)C(c3ccccc3)=N2)N=CC(c2ccccc2)=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EIF4E P06730 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
ALOX5 P09917 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
ABCC1 P33527 2/20 0.31
MAPT P10636 2/20 0.31
ABCB1 P08183 2/20 0.31
KCNMA1 Q12791 1/20 0.31
POLB P06746 1/20 0.31
PTGES O14684 1/20 0.31
CYP2C9 P11712 1/20 0.31
APP P05067 2/20 0.31
PDE4A P27815 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
SCHEMBL2707196 0.94 TDP1 (0.37) CRHBPCRHR2TDP1ALDH1A1MEN1
SCHEMBL80422 0.81 TDP1 (0.49) CRHBPCRHR2TDP1ALDH1A1MEN1
SCHEMBL30254595 0.81 TDP1 (0.49) CRHBPCRHR2TDP1ALDH1A1MEN1
SCHEMBL2233605 0.76
SCHEMBL490715 0.71 AKR1C3 (0.46) ALDH1A1MEN1KMT2AEIF4EMAPT
SCHEMBL8668434 0.70 SMN1; SMN2 (0.45) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2955237 0.69 EGFR (0.49) ALDH1A1
SCHEMBL490742 0.68 NPC1 (0.53) TDP1ALDH1A1MEN1KMT2AEIF4E
SCHEMBL8665764 0.68 MYC (0.47) ALDH1A1MEN1KMT2AALOX5MAPT
SCHEMBL2451533 0.66 EGFR (0.39) ALDH1A1MAPT

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
US-8771924-B2 Polymerizable composition, lithographic printing plate precursor and lithographic printing method FUJIFILM CORPORATION (JP) 2014-07-08 US disclosed
US-20080199804-A1 Including free radical binder polymer containing functional group having dipole moment of 3.8 debye; laser computer controlled direct plate making without alkali development; sensitivity, printing durability FUJIFILM CORPORATION (JP) 2008-08-21 US disclosed