SCHEMBL13634242

SCHEMBL13634242

Nc1ccc(CCN2CCOCC2)cc1C(=O)NCCCF

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.48
KLK7 P49862 1/20 0.47
MMP13 P45452 1/20 0.47
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BCL3 P20749 1/20 0.45
LIPG Q9Y5X9 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
SCHEMBL13634241 0.87 LMNA (0.48) SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL13634405 0.86 SMN1; SMN2 (0.59) SMN1; SMN2LMNAALDH1A1MAOB
SCHEMBL13163120 0.85 CCR2 (0.41)
SCHEMBL13638750 0.85 KMT2A (0.56) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL377882 0.79 SIGMAR1 (0.54) ALDH1A1KDM4E
SCHEMBL13162553 0.78 ALDH1A1 (0.57) SMN1; SMN2LMNAALDH1A1TSHRKDM4E
SCHEMBL13164017 0.76 KMT2A (0.50) LMNAALDH1A1TSHR
SCHEMBL26757979 0.76 SMN1; SMN2 (0.78) SMN1; SMN2LMNAALDH1A1KDM4EMAOB
SCHEMBL13634407 0.76 KMT2A (0.52) SMN1; SMN2LMNAALDH1A1TSHRKDM4E
SCHEMBL13161894 0.75 MCHR1 (0.46) SMN1; SMN2KDM4E

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