SCHEMBL3844047

SCHEMBL3844047

[CH2]C(=O)c1sc(-c2ccc(Cl)cc2)nc1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.75
RAB9A P51151 6/20 0.75
NPC1 O15118 4/20 0.75
KDM4E B2RXH2 2/20 0.75
POLB P06746 1/20 0.75
CASP3 P42574 1/20 0.70
SENP8 Q96LD8 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
SENP6 Q9GZR1 1/20 0.70
MAPT P10636 9/20 0.68
ALDH1A1 P00352 6/20 0.68
KMT2A Q03164 3/20 0.68
GAA P10253 2/20 0.68
MEN1 O00255 2/20 0.68
XDH P47989 1/20 0.57
LMNA P02545 1/20 0.55
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL12475206 0.86 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL1574466 0.86 RAB9A (1.00) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL2069278 0.86 RAB9A (1.00) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL8341784 0.84 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL8339292 0.82 SMN1; SMN2 (0.72) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL14800165 0.81 GAA (1.00) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL18550718 0.81 MAPT (1.00) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL2885708 0.80 TRPM8 (0.78) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL8345831 0.80 RAB9A (0.86) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL31301505 0.79 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1KDM4EPOLB

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
EP-1979354-B1 DIAZA-SPIRO-[4, 5]-DECANES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-11 EP disclosed