SCHEMBL13638858

SCHEMBL13638858

CN1CCN(C(=O)c2ccc(N=O)c(C=O)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 4/20 0.51
TSHR P16473 1/20 0.51
ERN1 O75460 3/20 0.49
POLB P06746 3/20 0.49
GRM5 P41594 1/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL13638958 0.84 ERN1 (0.53) KMT2AHPGDERN1POLBALDH1A1
SCHEMBL15066106 0.79 KMT2A (0.56) KMT2AMEN1HPGDTSHRERN1
SCHEMBL20645626 0.78 KMT2A (0.71) KMT2AMEN1HPGDTSHRERN1
SCHEMBL20954443 0.75 HRH3 (0.53) KMT2AMEN1HPGDTSHRERN1
SCHEMBL14048726 0.75 KMT2A (0.38) KMT2AMEN1HPGDERN1POLB
SCHEMBL10724841 0.74 POLB (0.81) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL10139126 0.73 POLB (0.65) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL4392112 0.73 POLB (0.65) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL20449044 0.73 HPGD (0.87) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL4383489 0.71 HPGD (0.56) KMT2AMEN1HPGDTSHRERN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed