SCHEMBL2870077

SCHEMBL2870077

Cc1nnc(-c2csc([Sn](C)(C)C)c2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
NOTUM Q6P988 1/20 0.35
SMN1; SMN2 Q16637 6/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 3/20 0.33
HPGD P15428 3/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
BRD4 O60885 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
GSK3B P49841 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL2838194 0.77 GPR84 (0.36) GPR84NOTUMSMN1; SMN2RAB9ANPC1
SCHEMBL15573785 0.72
SCHEMBL14804393 0.68 NPC1 (0.56) GPR84NOTUMSMN1; SMN2RAB9ANPC1
SCHEMBL8360193 0.66 PKM (0.71) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL8360135 0.66 POLB (0.42) GPR84NOTUMSMN1; SMN2RAB9ANPC1
SCHEMBL2867907 0.64 GPR84 (0.34) GPR84NOTUMSMN1; SMN2RAB9ANPC1
SCHEMBL739207 0.63 NPC1 (0.67) GPR84NOTUMSMN1; SMN2RAB9ANPC1
SCHEMBL2306468 0.63 NPC1 (0.70) NOTUMSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL753110 0.63 APP (0.55) NOTUMSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL13612274 0.63 TP53 (0.65) GPR84SMN1; SMN2RAB9ANPC1ALDH1A1

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
WO-2010065383-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-06-10 WO disclosed
WO-2010039913-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed