SCHEMBL5200742

SCHEMBL5200742

CC(=O)N[C@@]1(c2ccc([N+](=O)[O-])cc2F)CCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
THRB P10828 2/20 0.37
HSPA9 P38646 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADRA2A P08913 1/20 0.36
PNMT P11086 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
HTT P42858 4/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HIF1A Q16665 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
SCHEMBL5264677 0.89 MAPT (0.37) MAPTTHRBHSPA9SMN1; SMN2ADRA2A
Hydrochloric Acid SCHEMBL5201481 0.79 NPSR1 (0.40) MAPTHSPA9SMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1514586 0.70 LMNA (0.40) MAPTSMN1; SMN2ALDH1A1KMT2AGAA
Hydrochloric Acid SCHEMBL1514370 0.69 RECQL (0.39) MAPTSMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL5204172 0.69 NPSR1 (0.41) MAPTHSPA9ALDH1A1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL1514313 0.69 LMNA (0.39) MAPTSMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL21162020 0.69 MAPK1 (0.47) MAPTSMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL31572373 0.68 NPSR1 (0.39) MAPTTHRBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5169982 0.67 CYP2C19 (0.44) ALDH1A1GAAHTT
SCHEMBL6606358 0.66 ALDH1A1 (0.44) MAPTTHRBADRA2APNMTALDH1A1

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-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO disclosed