SCHEMBL15947692

SCHEMBL15947692

C=C(O)CCC(=O)Nc1ncc(C)s1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 1/20 0.57
HTT P42858 2/20 0.56
GAA P10253 1/20 0.55
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL17368178 0.88 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ATP53HTT
SCHEMBL14903117 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATP53HTT
SCHEMBL5837409 0.83 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATP53HTT
SCHEMBL7924409 0.81 RAB9A (0.56) SMN1; SMN2NPC1RAB9ATP53
SCHEMBL28413462 0.79 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9ATP53GAA
SCHEMBL28405067 0.79 NPC1 (0.57) SMN1; SMN2NPC1RAB9ATP53HTT
SCHEMBL6361249 0.79 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ATP53HTT
SCHEMBL10253052 0.79 SMN1; SMN2 (0.65) SMN1; SMN2RAB9A
SCHEMBL3794688 0.78 RAB9A (0.62) SMN1; SMN2NPC1RAB9ATP53HTT
SCHEMBL24101621 0.78 HTT (0.61) SMN1; SMN2NPC1RAB9ATP53HTT

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-2014122066-A1 SUBSTITUTED AMINO AZOLES AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-14 WO disclosed