SCHEMBL5237724

SCHEMBL5237724

C[C@@H]1CN(c2ccc(N)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 7/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SIRT6 Q8N6T7 2/20 0.48
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ADRB1 P08588 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL2089202 0.93 MAPT (0.62) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL2089200 0.93 MAPT (0.62) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL2086889 0.93 MAPT (0.62) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL2086891 0.93 MAPT (0.62) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL5248996 0.93 MAPT (0.62) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL5241777 0.86 POLB (0.63) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL5241770 0.86 POLB (0.63) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL13144984 0.84 MAPT (0.56) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL2385628 0.84 MAPT (0.56) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL2386013 0.84 MAPT (0.56) MAPTRAB9AALDH1A1GAASMN1; SMN2

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