SCHEMBL9734064

SCHEMBL9734064

CC1(C)c2cc([N+](=O)[O-])ccc2Oc2ccccc2Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
ALPL P05186 1/20 0.44
P2RX4 Q99571 1/20 0.41
TSHR P16473 3/20 0.41
AKR1B1 P15121 2/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL26631755 0.95 MEN1 (0.50) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL5798781 0.83 MEN1 (0.59) MAPTMEN1KMT2AHTTALDH1A1
Dinitrophenylene SCHEMBL27786570 0.77 TSHR (0.71) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL2390951 0.77 ALDH1A1 (0.52) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL22670468 0.76 MEN1 (0.42) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL10748513 0.75 FTO (0.55) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL1771870 0.74 FTO (0.54) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL29525751 0.73 PTPRC (0.53) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL10049236 0.73 PTPRC (0.53) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12282222 0.73 PTPRC (0.53) MAPTMEN1KMT2AALDH1A1TSHR

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
US-5086128-A HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed