SCHEMBL9770905

SCHEMBL9770905

O=C(OC1CCCC1)c1cc(N=C=S)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.38
SLC6A3 Q01959 1/20 0.36
HPGD P15428 4/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN9A Q15858 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL10410259 0.89 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2GAASLC6A3
SCHEMBL8599002 0.82 SCN9A (0.34) NPC1RAB9ASMN1; SMN2GAASLC6A3
SCHEMBL8603023 0.81 NPC1 (0.33) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL9051631 0.80 GAA (0.40) NPC1RAB9ASMN1; SMN2GAAHPGD
SCHEMBL8598609 0.79 PPOX (0.42) NPC1RAB9ASMN1; SMN2GAAHPGD
SCHEMBL8602421 0.78 ALDH1A1 (0.37) SMN1; SMN2GAAHPGDPOLBMAPT
SCHEMBL8601522 0.78 SCN9A (0.36) NPC1RAB9AMAPTSCN9ALMNA
SCHEMBL8601518 0.78 PPOX (0.45) NPC1RAB9ASMN1; SMN2GAAHPGD
SCHEMBL10471483 0.77 LMNA (0.40) NPC1RAB9ASMN1; SMN2GAASLC6A3
SCHEMBL8601499 0.77 PTGS1 (0.32) NPC1RAB9ASMN1; SMN2HPGDPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP disclosed