SCHEMBL13634828

SCHEMBL13634828

NC(=O)C1CCCN(C(=O)c2ccc(NC(=O)c3csc(N4CCC(Oc5ncccn5)CC4)n3)c(Br)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
VNN1 O95497 1/20 0.38
SCD O00767 1/20 0.38
NPC1 O15118 2/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 2/20 0.36
PIM1 P11309 3/20 0.36
RHOA P61586 2/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL13634880 0.92 RAB9A (0.40) RAB9ASCDNPC1MEN1KMT2A
SCHEMBL13634863 0.86 MAP3K7 (0.48) SCD
SCHEMBL13634547 0.85 MAP3K7 (0.39) SCDMEN1KMT2APIM1LMNA
SCHEMBL13634882 0.85 MAP3K7 (0.39) RAB9ASCDNPC1PIM1MAPT
SCHEMBL13634849 0.84 GPR6 (0.41) RAB9ASCDNPC1PIM1MAPT
SCHEMBL13634881 0.84 NPC1 (0.40) RAB9ASCDNPC1PIM1MAPT
SCHEMBL13634653 0.83 HRH3 (0.41) RAB9AHSD17B10SCDNPC1MAPT
SCHEMBL13634883 0.79 NPC1 (0.43) NPC1PIM1MAPK1
SCHEMBL13634826 0.78 GPR6 (0.39) RAB9ASCDNPC1PIM1MAPT
SCHEMBL13634698 0.78 MAP3K7 (0.47) SCD

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