SCHEMBL7362865

SCHEMBL7362865

O=c1[nH]nc(-c2ccc(Cl)c([N+](=O)[O-])c2)c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 9/20 0.50
MEN1 O00255 7/20 0.50
MAPT P10636 6/20 0.50
KDM4E B2RXH2 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
PKM P14618 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
HSP90AA1 P07900 1/20 0.47
OPRK1 P41145 1/20 0.47
GAA P10253 2/20 0.45
IDO1 P14902 2/20 0.45
TDO2 P48775 2/20 0.45
CTSB P07858 1/20 0.45
POLB P06746 2/20 0.44
RAD52 P43351 1/20 0.44
PARP1 P09874 1/20 0.43

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
SCHEMBL7362558 0.86 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7362871 0.80 PDE4D (0.57) KMT2AMEN1MAPTLMNAIDO1
SCHEMBL7370628 0.77 PDE4A (0.52) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7369477 0.75 MEN1 (0.63) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7367868 0.75 PDE4A (0.55) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7369609 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7368635 0.74 PDE4A (0.63) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7365402 0.73 PDE4A (0.73) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL1251253 0.73 NPSR1 (0.67) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL1251237 0.73 PARP1 (0.53) ALDH1A1KMT2AMEN1MAPTTDP1

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-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed