SCHEMBL5532993

SCHEMBL5532993

CC(C)CN(Nc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 4/20 0.41
CCR2 P41597 1/20 0.41
CCR5 P51681 1/20 0.41
P2RX3 P56373 3/20 0.38
POLB P06746 1/20 0.37
CDKN1A P38936 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
DHODH Q02127 1/20 0.35
LMNA P02545 1/20 0.34
KMO O15229 1/20 0.34
TSHR P16473 1/20 0.34
EPHA2 P29317 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL3054070 0.87 MAPT (0.39) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL3052199 0.78 MAPT (0.46) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL3051396 0.77 TP53 (0.55) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL3048542 0.77 MAPT (0.47) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL5539670 0.76 MAPT (0.45) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL3051775 0.76 MAPT (0.46) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL10276991 0.74 MAPT (0.45) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL4269856 0.74 MAPT (0.45) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL3059036 0.73 TP53 (0.53) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL3045625 0.73 MEN1 (0.45) SMN1; SMN2MAPTMEN1KMT2AALDH1A1

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-1799689-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-06-27 EP disclosed
WO-2006044402-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO disclosed