SCHEMBL5539670

SCHEMBL5539670

O=C(O)CNc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 5/20 0.44
CCR2 P41597 1/20 0.44
CCR5 P51681 1/20 0.44
PIN1 Q13526 1/20 0.43
POLB P06746 2/20 0.42
KMO O15229 1/20 0.39
FFAR1 O14842 1/20 0.39
SLC2A1 P11166 1/20 0.38
CDKN1A P38936 1/20 0.38
NPY5R Q15761 1/20 0.38
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
DHODH Q02127 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3045625 0.87 MEN1 (0.45) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3051396 0.84 TP53 (0.55) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3060981 0.83 MAPT (0.44) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3051775 0.82 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3051053 0.81 GAA (0.56) MAPTSMN1; SMN2MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6421068 0.79 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3048542 0.79 MAPT (0.47) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3052199 0.79 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3051391 0.78 POLB (0.55) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL3050864 0.78 MAPT (0.47) MAPTSMN1; SMN2MEN1KMT2AHTT

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 claimed
WO-2006044402-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO claimed