SCHEMBL13634654

SCHEMBL13634654

COC1CN(c2nc(C(=O)Nc3ccc(CCN4CCOCC4)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.40
PDE5A O76074 1/20 0.39
BCL3 P20749 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
IRAK4 Q9NWZ3 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
SCHEMBL13634559 0.95 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL13634757 0.93 MAPT (0.40) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL13270599 0.89 MAPT (0.41) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL13270650 0.88 MAPT (0.39) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL13634573 0.88 KMT2A (0.42) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL13639002 0.88 KMT2A (0.42) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL2772472 0.85 KMT2A (0.49) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL13634740 0.85 MAPT (0.41) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL13634927 0.84 CNR2 (0.36)
SCHEMBL13634767 0.83 SCD (0.37)

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