SCHEMBL2707196

SCHEMBL2707196

O=[N+]([O-])c1ccccc1C1(C2(c3ccccc3[N+](=O)[O-])N=C(c3ccccc3)C(c3ccccc3)=N2)N=CC(c2ccc(-c3ccccc3)cc2)=N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
PIN1 Q13526 1/20 0.32
RAB9A P51151 1/20 0.31
MAPK1 P28482 2/20 0.31
POLB P06746 1/20 0.31
ACHE P22303 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
MAOA P21397 1/20 0.30
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
PKM P14618 2/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL4999938 0.94 CRHBP (0.34) TDP1ALDH1A1KMT2AMEN1CRHBP
SCHEMBL30254595 0.85 TDP1 (0.49) TDP1ALDH1A1KMT2AMEN1CRHBP
SCHEMBL80422 0.85 TDP1 (0.49) TDP1ALDH1A1KMT2AMEN1CRHBP
SCHEMBL2233605 0.73
SCHEMBL8665764 0.71 MYC (0.47) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL8668434 0.71 SMN1; SMN2 (0.45) TDP1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL490742 0.69 NPC1 (0.53) TDP1ALDH1A1KMT2AMEN1PIN1
SCHEMBL8664750 0.68 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL2451533 0.68 EGFR (0.39) ALDH1A1RAB9AMAPTKDM4E
SCHEMBL490715 0.68 AKR1C3 (0.46) ALDH1A1KMT2AMEN1RAB9AMAPK1

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-2447780-A1 Method for preparation of lithographic printing plate Fujifilm Corporation (JP) 2012-05-02 EP disclosed