SCHEMBL9951895

SCHEMBL9951895

O=[N+]([O-])c1cc2[nH]nnc2c([N+](=O)[O-])c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.43
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CTSB P07858 1/20 0.38
GAA P10253 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
TTR P02766 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL9952236 0.84 KMT2A (0.43) GPR35MAPTALDH1A1MEN1KMT2A
SCHEMBL5702615 0.83 ERN1 (0.39) GPR35MAPTALDH1A1KDM4EMEN1
SCHEMBL5702739 0.83 GPR35 (0.46) GPR35MAPTALDH1A1KDM4EMEN1
SCHEMBL8623365 0.83 GRIN2D (0.44) GPR35MAPTALDH1A1KDM4EMEN1
SCHEMBL5702768 0.83 GPR35 (0.44) GPR35MEN1KMT2AGRIN2DGRIN3B
SCHEMBL5702704 0.83 GPR35 (0.51) GPR35MAPTALDH1A1KDM4EMEN1
SCHEMBL1020447 0.81 MEN1 (0.47) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL10622786 0.78 KMT2A (0.43) GPR35MAPTALDH1A1MEN1KMT2A
SCHEMBL9951861 0.77 CRHBP (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
Silver SCHEMBL9173544 0.77 KMT2A (0.42) GPR35MAPTALDH1A1MEN1KMT2A

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-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP disclosed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO disclosed