SCHEMBL27979652

SCHEMBL27979652

O=C(Nc1ccc(Cl)cc1)N1CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.71
CA2 P00918 3/20 0.71
CA9 Q16790 3/20 0.71
LMNA P02545 3/20 0.69
TRPV1 Q8NER1 3/20 0.69
GAA P10253 2/20 0.69
MAPK1 P28482 1/20 0.69
ALOX5 P09917 1/20 0.69
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
TAS1R3 Q7RTX0 1/20 0.67
TAS1R1 Q7RTX1 1/20 0.67
TAS1R2 Q8TE23 1/20 0.67
KDM4E B2RXH2 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
FAAH O00519 1/20 0.65
MAPT P10636 3/20 0.64
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL20237000 0.93 CA12 (0.64) CA12CA2CA9LMNATRPV1
SCHEMBL10596224 0.92 MAPT (0.69) CA12CA2CA9LMNAALOX5
SCHEMBL14590776 0.91 LMNA (0.66) CA12CA2CA9LMNATRPV1
SCHEMBL13234926 0.91 LMNA (0.67) CA12CA2CA9LMNATRPV1
SCHEMBL13234925 0.91 RAB9A (0.70) LMNAALOX5NPC1RAB9ATDP1
SCHEMBL13234944 0.90 CA12 (0.89) CA12CA2CA9LMNATRPV1
SCHEMBL223421 0.89 MAPT (0.71) CA12CA2CA9GAANPC1
SCHEMBL20236338 0.88 ALOX5 (0.60) CA12CA2CA9LMNATRPV1
SCHEMBL4675168 0.88 LMNA (0.61) CA12CA2CA9LMNATRPV1
SCHEMBL10594359 0.88 GAA (0.73) CA12CA2CA9LMNATRPV1

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
CN-104428331-B Active energy beam polymer resin composition and the laminated body for using the resin combination 东洋油墨SC控股株式会社 2019-02-15 CN disclosed
CN-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 CN disclosed