SCHEMBL13634880

SCHEMBL13634880

NC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3csc(N4CCC(Oc5ncccn5)CC4)n3)c(Br)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 11/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SCD O00767 1/20 0.39
PIM1 P11309 1/20 0.39
MAP3K7 O43318 1/20 0.37
PRSS12 P56730 1/20 0.37

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
SCHEMBL13634828 0.92 RAB9A (0.41) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL13634863 0.90 MAP3K7 (0.48) SCDMAP3K7
SCHEMBL13634547 0.89 MAP3K7 (0.39) SMN1; SMN2MEN1KMT2ASCDPIM1
SCHEMBL13634882 0.89 MAP3K7 (0.39) RAB9ANPC1SCDPIM1MAP3K7
SCHEMBL13634849 0.87 GPR6 (0.41) RAB9ANPC1SCDPIM1
SCHEMBL13634881 0.86 NPC1 (0.40) RAB9ANPC1SMN1; SMN2SCDPIM1
SCHEMBL13634653 0.85 HRH3 (0.41) RAB9ANPC1SMN1; SMN2SCD
SCHEMBL13634883 0.81 NPC1 (0.43) NPC1MAPK1PIM1
SCHEMBL13634698 0.81 MAP3K7 (0.47) SCDMAP3K7
SCHEMBL13634648 0.81 MAP3K7 (0.51) MAP3K7

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