SCHEMBL13638749

SCHEMBL13638749

COCCNC(=O)c1cc(CCN2CCOCC2)ccc1N=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 3/20 0.48
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL13638849 0.90 KMT2A (0.65) KMT2ATDP1LMNAALDH1A1KDM4E
SCHEMBL13162387 0.86 KMT2A (0.57) KMT2ATDP1LMNAALDH1A1POLB
SCHEMBL13638750 0.85 KMT2A (0.56) KMT2ATDP1LMNACYP2C9CYP2C19
SCHEMBL13270661 0.82 KMT2A (0.59) KMT2ATDP1LMNACYP2C19ALDH1A1
SCHEMBL13638972 0.79 KMT2A (0.46) KMT2ATDP1LMNAALDH1A1KDM4E
SCHEMBL13162031 0.75 KMT2A (0.69) KMT2ATDP1LMNAKDM4EPOLB
SCHEMBL13162599 0.74 KMT2A (0.68) KMT2ATDP1LMNAALDH1A1KDM4E
SCHEMBL15888559 0.74 HTR4 (0.51) KMT2ATDP1HRH3ALDH1A1CYP2D6
SCHEMBL13634241 0.74 LMNA (0.48) KMT2ALMNACYP2C19ALDH1A1POLB
SCHEMBL30230078 0.74 KMT2A (0.64) KMT2ATDP1LMNACYP2C9CYP2C19

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