SCHEMBL6557891

SCHEMBL6557891

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 1/20 0.56
RECQL P46063 1/20 0.56
MAPT P10636 7/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
HTR1E P28566 1/20 0.43
S1PR3 Q99500 1/20 0.43
GAA P10253 3/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
VCAM1 P19320 1/20 0.41
PHLPP2 Q6ZVD8 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
SCHEMBL7642018 0.91 HSD17B10 (0.47) HSD17B10ALDH1A1RECQLMAPTKMT2A
SCHEMBL6556767 0.91 MAPT (0.57) HSD17B10ALDH1A1RECQLMAPTKMT2A
SCHEMBL6557884 0.88 HSD17B10 (0.51) HSD17B10ALDH1A1RECQLMAPTKMT2A
SCHEMBL6556733 0.84 GAA (0.43) HSD17B10ALDH1A1RECQLMAPTKMT2A
Dimethylamine SCHEMBL22445184 0.84 MEN1 (0.51) HSD17B10ALDH1A1MAPTKMT2AMEN1
SCHEMBL6556764 0.80 MAPT (0.68) HSD17B10ALDH1A1MAPTKMT2AMEN1
SCHEMBL30054040 0.80 MAPT (0.68) HSD17B10ALDH1A1MAPTKMT2AMEN1
SCHEMBL6556896 0.80 MAPT (0.40) HSD17B10ALDH1A1RECQLMAPTKMT2A
SCHEMBL6557164 0.79 MEN1 (0.38) HSD17B10ALDH1A1MAPTKMT2AMEN1
SCHEMBL6556694 0.78 PTPRF (0.56) MAPTKMT2AMEN1GAAPOLB

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-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP claimed
US-6166013-A Glucocortiocoid-selective agents ABBOTT LABORATORIES (US) 2000-12-26 US disclosed