SCHEMBL28044527

SCHEMBL28044527

CCN(CC[As](C)C)c1cc[c]c([N+](=O)[O-])c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH3A1 P30838 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
HCAR3 P49019 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28044545 0.84 MAPT (0.35) MAPTALDH1A1
SCHEMBL590610 0.84 MAPT (0.33) MAPTCYP3A4MAPK1ALDH3A1TP53
SCHEMBL28044442 0.72 NR3C1 (0.32)
SCHEMBL3211653 0.72 MAPT (0.47) MAPTCYP3A4MAPK1MEN1ALDH1A1
SCHEMBL28044438 0.71 HCAR3 (0.45) MAPTCYP3A4MAPK1ALDH3A1TP53
SCHEMBL589760 0.71 MAPT (0.38) MAPTHTTHCAR3ALDH1A1
Hydrochloric Acid SCHEMBL28824557 0.70 HCAR3 (0.44) MAPTCYP3A4MAPK1ALDH3A1TP53
SCHEMBL589567 0.69 MAPT (0.42) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL590762 0.67 MAPT (0.35) MAPTALDH1A1
SCHEMBL457530 0.66 KAT2B (0.36) MAPTMAPK1HTTMEN1ALDH1A1

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
CN-101594862-B Substituted indazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-11-25 CN disclosed