SCHEMBL13638844

SCHEMBL13638844

CN1CCN(Cc2ccc(N=O)c(C(=O)NC3CCOCC3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45
MEN1 O00255 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
POLB P06746 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MCHR1 Q99705 5/20 0.41
DRD4 P21917 2/20 0.41
CCR3 P51677 2/20 0.41
AURKA O14965 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
AURKB Q96GD4 1/20 0.41
AXL P30530 1/20 0.41

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
SCHEMBL13163132 0.86 POLB (0.52) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13163950 0.85 MCHR1 (0.55) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13162753 0.83 ALDH1A1 (0.49) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13638845 0.80 BMPR1B (0.47) KMT2ASMN1; SMN2MEN1POLBHRH3
SCHEMBL13638862 0.79 NTRK1 (0.39) NPC1RAB9AHDAC6
SCHEMBL13162043 0.78 KDM4E (0.59) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13162666 0.78 POLB (0.50) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13162881 0.78 KDM4E (0.56) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13270756 0.78 POLB (0.52) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13162375 0.78 KDM4E (0.55) KDM4EKMT2ANPC1RAB9ASMN1; SMN2

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