SCHEMBL9873396

SCHEMBL9873396

CCSCOc1cc(N)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
PPOX P50336 4/20 0.33
MAOA P21397 3/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.31
GLA P06280 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9871713 0.84 NPC1 (0.38) NPC1PPOXMAOAGAA
SCHEMBL8599602 0.82 PPOX (0.45) NPC1PPOXMAOAGAAMAPT
SCHEMBL8604315 0.79 CSNK2A1 (0.49) NPC1PPOXMAOAGAAMAPT
SCHEMBL8358490 0.78 PPOX (0.48) PPOXGAA
SCHEMBL8599263 0.78 GLA (0.50) NPC1PPOXMAOAGAAMAPT
SCHEMBL9873170 0.76 NPC1 (0.37) NPC1PPOXMAOAGAAMAPT
SCHEMBL8602962 0.76 SMN1; SMN2 (0.46) NPC1PPOXMAOAGLASMN1; SMN2
SCHEMBL9872059 0.76 NPC1 (0.43) NPC1PPOXMAOAGAAMAPT
SCHEMBL8879337 0.74 L3MBTL1 (0.48) NPC1MAOAGAAMAPTSMN1; SMN2
SCHEMBL8876498 0.74 GAA (0.44) NPC1MAOAGAAMAPT

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-5017213-A Herbicides NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1991-05-21 US disclosed
EP-0351641-A1 1-Phenylpyrrole NIHON BAYER AGROCHEM K.K. (JP) 1990-01-24 EP disclosed