SCHEMBL9872127

SCHEMBL9872127

Nc1cc(OCc2ccon2)c(Cl)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
F10 P00742 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
TP53 P04637 2/20 0.30
NFKB1 P19838 2/20 0.30
NFKB2 Q00653 2/20 0.30
RELA Q04206 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 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
SCHEMBL9873250 0.77 SYK (0.64) SYKRAB9ATP53SMN1; SMN2HTT
SCHEMBL9873609 0.74 FLT1 (0.38) SYKF10HRH4MEN1KMT2A
SCHEMBL17543219 0.73 MRGPRX4 (0.47) MRGPRX4
SCHEMBL810931 0.73 MGAM (0.47) NPC1RAB9AMRGPRX4NFKB1NFKB2
SCHEMBL31442635 0.73 MGAM (0.47) NPC1RAB9AMRGPRX4NFKB1NFKB2
SCHEMBL9879616 0.72 PPOX (0.32) NPC1RAB9AMEN1KMT2A
SCHEMBL30729937 0.71 SYK (0.64) SYKRAB9ATP53SMN1; SMN2HTT
SCHEMBL21835202 0.71 SYK (0.64) SYKRAB9ATP53SMN1; SMN2HTT
SCHEMBL30946184 0.70 LOXL2 (0.41) SYK
SCHEMBL8599602 0.70 PPOX (0.45) NPC1RAB9AMEN1CYP1A2CYP2C19

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