SCHEMBL6558795

SCHEMBL6558795

CN(C)c1ccc(Cc2cc([N+](=O)[O-])ccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MCL1 Q07820 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.47
HSD17B10 Q99714 1/20 0.46
CDC25C P30307 2/20 0.45
CYP2C9 P11712 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
G6PD P11413 1/20 0.42

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
SCHEMBL6203707 0.81 HSD17B10 (0.53) MAPTSMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6199119 0.81 NPSR1 (0.55) MAPTMAPK1HSD17B10LMNAALDH1A1
SCHEMBL4513265 0.77 HSD17B10 (0.56) MAPTSMN1; SMN2TDP1CYP3A4HSD17B10
SCHEMBL13241715 0.75 HSD17B10 (0.62) SMN1; SMN2TDP1TSHRHSD17B10LMNA
SCHEMBL4524457 0.74 HSD17B10 (0.51) SMN1; SMN2CYP3A4HSD17B10LMNAALDH1A1
SCHEMBL6556764 0.73 MAPT (0.68) MAPTSMN1; SMN2NPC1RAB9AMCL1
SCHEMBL6558792 0.73 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9AMCL1
SCHEMBL30054040 0.73 MAPT (0.68) MAPTSMN1; SMN2NPC1RAB9AMCL1
SCHEMBL30402470 0.73 HSD17B10 (0.55) MAPTSMN1; SMN2MCL1TDP1HSD17B10
SCHEMBL27875088 0.73 MEN1 (0.57) MAPTSMN1; SMN2TDP1CYP3A4TSHR

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
EP-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP claimed