SCHEMBL7642018

SCHEMBL7642018

CNc1ccc(C(c2ccc([As](C)C)cc2)c2cc([N+](=O)[O-])ccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
MAPT P10636 5/20 0.38
HTR1E P28566 1/20 0.38
S1PR3 Q99500 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.37
GAA P10253 2/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP1A2 P05177 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
VCAM1 P19320 1/20 0.35

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
SCHEMBL6557891 0.91 HSD17B10 (0.56) HSD17B10ALDH1A1RECQLKMT2AMEN1
SCHEMBL6556767 0.83 MAPT (0.57) HSD17B10ALDH1A1RECQLKMT2AMEN1
SCHEMBL6557884 0.80 HSD17B10 (0.51) HSD17B10ALDH1A1RECQLKMT2AMEN1
SCHEMBL6556733 0.77 GAA (0.43) HSD17B10ALDH1A1RECQLKMT2AMEN1
Dimethylamine SCHEMBL22445184 0.77 MEN1 (0.51) HSD17B10ALDH1A1KMT2AMEN1MAPT
SCHEMBL30054040 0.73 MAPT (0.68) HSD17B10ALDH1A1KMT2AMEN1MAPT
SCHEMBL6556764 0.73 MAPT (0.68) HSD17B10ALDH1A1KMT2AMEN1MAPT
SCHEMBL6556896 0.73 MAPT (0.40) HSD17B10ALDH1A1RECQLKMT2AMEN1
SCHEMBL6557164 0.72 MEN1 (0.38) HSD17B10ALDH1A1KMT2AMEN1MAPT
SCHEMBL6556694 0.71 PTPRF (0.56) KMT2AMEN1MAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002521430-A 2002-07-16 JP claimed
EP-1100483-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS Abbott Laboratories (US) 2001-05-23 EP claimed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO claimed