SCHEMBL8307224

SCHEMBL8307224

CC(C)(C)Nc1c([N+](=O)[O-])c2nnnn2c2ccccc12.CCN(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 8/20 0.37
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 5/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
AGTR1 P30556 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6100506 0.93 MAPT (0.47) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL6099481 0.79 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL6099648 0.77 ALDH1A1 (0.45) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL6097459 0.74 S100A4 (0.47) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL8309976 0.73 POLB (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
Water SCHEMBL6101423 0.73 S100A4 (0.46) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL6099876 0.71 LMNA (0.40) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL6106397 0.71 ALDH1A1 (0.51) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL12702171 0.68 ALDH1A1 (0.32) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL6100934 0.68 S100A4 (0.34) MAPTMEN1KMT2AALDH1A1NPSR1

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-0912565-A1 PROCESS FOR PREPARING IMIDAZOQUINOLINAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-05-06 EP disclosed
WO-1997048704-A1 PROCESS FOR PREPARING IMIDAZOQUINOLINAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-12-24 WO disclosed