SCHEMBL13638845

SCHEMBL13638845

CN1CCN(C(=O)c2ccc(N=O)c(C(=O)NC3CCOCC3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 4/20 0.47
BMPR1A P36894 4/20 0.47
ACVRL1 P37023 4/20 0.47
ACVR1 Q04771 4/20 0.47
TGFBR1 P36897 3/20 0.47
FASN P49327 1/20 0.46
HPGD P15428 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.41
NAMPT P43490 1/20 0.41
SELP P16109 1/20 0.41
TYRO3 Q06418 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGDS O60760 2/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
WDR5 P61964 1/20 0.38

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
SCHEMBL13162667 0.86 FASN (0.59) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL13162560 0.85 BMPR1B (0.53) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL13163922 0.82 ALDH1A1 (0.54) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL13638844 0.80 KDM4E (0.47) HRH3KMT2AMEN1SMN1; SMN2POLB
SCHEMBL13162679 0.78 FASN (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL13162544 0.76 BMPR1B (0.57) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL13638856 0.74 HPGDS (0.54) HPGDKMT2AMEN1SMN1; SMN2HPGDS
SCHEMBL13163926 0.73 ALDH1A1 (0.61) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL13638862 0.71 NTRK1 (0.39) HPGDS
SCHEMBL3514598 0.70 HPGD (0.45) HPGDHRH3KMT2AMEN1TSHR

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