SCHEMBL8525368

SCHEMBL8525368

O=C1CCCc2cc(-c3csc(-c4ccncc4)n3)ccc2N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 2/20 0.60
POLB P06746 2/20 0.60
ALDH1A1 P00352 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 4/20 0.59
NPC1 O15118 2/20 0.59
MMP12 P39900 1/20 0.59
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
GSK3B P49841 1/20 0.47
CYP19A1 P11511 3/20 0.45
KDM4E B2RXH2 5/20 0.45
LMNA P02545 2/20 0.45
AR P10275 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP11B1 P15538 1/20 0.44

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
SCHEMBL8525270 0.93 SMN1; SMN2 (0.70) SMN1; SMN2MAPTPOLBALDH1A1HTT
SCHEMBL8480061 0.87 PDE3B (0.68) SMN1; SMN2MAPTPOLBALDH1A1HTT
SCHEMBL18122053 0.83 MAPT (0.85) SMN1; SMN2MAPTPOLBALDH1A1HTT
SCHEMBL8523935 0.82 NPC1 (0.44) SMN1; SMN2MAPTPOLBALDH1A1HTT
SCHEMBL8524263 0.82 RAB9A (0.51) SMN1; SMN2MAPTPOLBALDH1A1HTT
SCHEMBL8524059 0.80 RAB9A (0.49) SMN1; SMN2MAPTPOLBALDH1A1HTT
SCHEMBL6197654 0.80 SMN1; SMN2 (0.64) SMN1; SMN2MAPTPOLBALDH1A1HTT
SCHEMBL6651931 0.79 MAPT (0.65) SMN1; SMN2MAPTPOLBALDH1A1HTT
Hydrochloric Acid SCHEMBL8480857 0.79 KDM4E (0.50) SMN1; SMN2MAPTPOLBALDH1A1HTT
SCHEMBL6201294 0.79 MAPT (0.66) SMN1; SMN2MAPTPOLBALDH1A1HTT

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
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed