SCHEMBL13638811

SCHEMBL13638811

Cc1ccccc1NC(=O)c1csc(-c2cccs2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
IRAK4 Q9NWZ3 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CHEK1 O14757 2/20 0.62
KDM4E B2RXH2 6/20 0.61
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL13638902 0.84 IRAK4 (0.78) RAB9AIRAK4CHEK1HDAC1HDAC6
SCHEMBL3436898 0.83 IRAK4 (0.78) RAB9AIRAK4SMN1; SMN2CHEK1KDM4E
SCHEMBL2771222 0.83 RAB9A (0.60) RAB9AIRAK4SMN1; SMN2CHEK1KDM4E
SCHEMBL13634536 0.83 RAB9A (0.60) RAB9AIRAK4SMN1; SMN2CHEK1KDM4E
SCHEMBL18600237 0.81 RAB9A (0.55) RAB9AIRAK4SMN1; SMN2CHEK1KDM4E
SCHEMBL14207028 0.80 CHEK1 (0.59) RAB9AIRAK4SMN1; SMN2CHEK1KDM4E
SCHEMBL352098 0.80 KDM4E (0.68) RAB9ASMN1; SMN2CHEK1KDM4EHDAC3
SCHEMBL14207144 0.79 CHEK1 (0.83) RAB9ASMN1; SMN2CHEK1MAPTTSHR
SCHEMBL14207142 0.78 CHEK1 (0.81) RAB9ASMN1; SMN2CHEK1MAPTTSHR
SCHEMBL14207146 0.78 CHEK1 (0.81) RAB9ASMN1; SMN2CHEK1MAPTTSHR

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