SCHEMBL9953477

SCHEMBL9953477

CC(C)(C)Sc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 8/20 0.44
TDP1 Q9NUW8 4/20 0.44
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
GSTP1 P09211 1/20 0.44
GSTM2 P28161 1/20 0.44
MCL1 Q07820 1/20 0.43
ADRB2 P07550 1/20 0.40
PDE7A Q13946 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6152052 0.77 TSHR (0.48) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL8759742 0.76 MAPT (0.39) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL11294601 0.75 TDP1 (0.55) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL596168 0.75 MAPT (0.62) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL19511923 0.75 MAPT (0.62) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL10902894 0.74 TDP1 (0.44) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL1192919 0.74 ALDH1A1 (0.46) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL6949538 0.73 MAPT (0.50) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL16139485 0.73 TXNRD1 (0.68) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL3243151 0.73 MAPT (0.60) MEN1KMT2AALDH1A1L3MBTL1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012088184-A1 INTEGRATED PROCESSES FOR THE PREPARATION OF HETEROCYCLIC AROMATIC POLYMER PRECURSORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO claimed
WO-2012088184-A1 INTEGRATED PROCESSES FOR THE PREPARATION OF HETEROCYCLIC AROMATIC POLYMER PRECURSORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012088184-A1 INTEGRATED PROCESSES FOR THE PREPARATION OF HETEROCYCLIC AROMATIC POLYMER PRECURSORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012088182-A2 2,4,5-TRIAMINOTHIOPHENOLS AND RELATED COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed