SCHEMBL28304909

SCHEMBL28304909

O=C(SCc1ccccc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
PLOD2 O00469 1/20 0.56
GAA P10253 3/20 0.55
ALDH1A1 P00352 3/20 0.55
APP P05067 1/20 0.55
HCAR3 P49019 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.52
GPR52 Q9Y2T5 1/20 0.51
EPHX2 P34913 1/20 0.51
NAPRT Q6XQN6 1/20 0.50
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
SARM1 Q6SZW1 1/20 0.49

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
SCHEMBL1479171 0.92 NAPRT (0.53) LMNAKMT2ATDP1PLOD2GAA
Tibenzate SCHEMBL2110094 0.84 IDO1 (0.52) LMNAKMT2ATDP1SMN1; SMN2
SCHEMBL28460668 0.80 IDO1 (0.52) LMNAKMT2ATDP1
SCHEMBL27497158 0.76 SMN1; SMN2 (0.54) LMNAKMT2ATDP1PLOD2GAA
SCHEMBL360711 0.76 PLOD2 (0.69) LMNAKMT2ATDP1PLOD2GAA
SCHEMBL3247900 0.75 GPR52 (0.61) LMNAKMT2ATDP1PLOD2GAA
Niacin SCHEMBL17633821 0.75 ALDH1A1 (0.57) LMNAKMT2ATDP1PLOD2GAA
Bromide SCHEMBL11040809 0.75 PLOD2 (0.67) LMNAKMT2ATDP1PLOD2GAA
Hydrochloric Acid SCHEMBL11169565 0.75 PLOD2 (0.67) LMNAKMT2ATDP1PLOD2GAA
SCHEMBL11189149 0.74 SMN1; SMN2 (0.74) LMNAKMT2AGAAALDH1A1NPC1

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
CN-106928134-B A kind of preparation facilities and synthetic method of nicosulfuron intermediate 山东理工大学 2019-07-16 CN disclosed