SCHEMBL11513288

SCHEMBL11513288

CCCCCCCCSc1nnc(C(C)(C)C)n1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
TSHR P16473 3/20 0.44
RECQL P46063 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 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
SCHEMBL11511427 0.81 ALDH1A1 (0.43) GAATSHRRECQLSMN1; SMN2TP53
SCHEMBL11510747 0.73 ALDH1A1 (0.47) GAATSHRRECQLSMN1; SMN2TP53
SCHEMBL11509890 0.72 SMN1; SMN2 (0.41) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL11509864 0.70 HPGD (0.36) GAARECQLSMN1; SMN2HTTHPGD
SCHEMBL11509861 0.69 HPGD (0.36) GAARECQLSMN1; SMN2HTTHPGD
SCHEMBL11510095 0.69 HDAC2 (0.43) GAATSHRSMN1; SMN2ALOX15HTT
SCHEMBL11512018 0.69 NPC1 (0.54) GAARECQLSMN1; SMN2HTTHPGD
SCHEMBL11512195 0.68 ALDH1A1 (0.39) GAATSHRSMN1; SMN2TP53ALOX15
SCHEMBL11511399 0.68 GAA (0.55) GAATSHRRECQLSMN1; SMN2TP53
SCHEMBL11511745 0.67 IL15 (0.37) GAATSHRSMN1; SMN2HTTHPGD

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-4178253-A 1,2,4-TRIAZOLE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1979-12-11 US disclosed