SCHEMBL8599272

SCHEMBL8599272

CC(Sc1cc(N)c(F)cc1Cl)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
LMNA P02545 2/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MAPK14 Q16539 2/20 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
SCHEMBL8599215 0.85 ALDH1A1 (0.38) LMNAMAPTHPGDSMN1; SMN2POLB
SCHEMBL8599849 0.84 LMNA (0.33) LMNAMAPTHPGDSMN1; SMN2
SCHEMBL8603149 0.83 MAPT (0.41) LMNAKMT2AMAPTHPGDSMN1; SMN2
SCHEMBL8603214 0.82 LMNA (0.38) APPLMNASMN1; SMN2
SCHEMBL8604182 0.80 PPOX (0.32) LMNAMAPTHPGDSMN1; SMN2
SCHEMBL8350503 0.79 ESR1 (0.39) LMNAMAPTHPGDSMN1; SMN2
SCHEMBL8602392 0.79 APP (0.35) APP
SCHEMBL8600582 0.79 POLB (0.34) APPKMT2AMAPTPOLBAPEX1
SCHEMBL8603053 0.78 MAPT (0.37) LMNAMAPTPOLB
SCHEMBL8601390 0.78 CYP19A1 (0.36) LMNAMAPTHPGDSMN1; SMN2POLB

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
EP-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed