SCHEMBL18904243

SCHEMBL18904243

Cc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.71
MPL P40238 4/20 0.54
BLM P54132 1/20 0.49
WRN Q14191 1/20 0.49
TDO2 P48775 3/20 0.48
APEX1 P27695 1/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
BUB1 O43683 1/20 0.45
DHODH Q02127 5/20 0.43
GRM4 Q14833 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL13159796 0.87 CHRNA7 (0.55) CHRNA7MPLTDO2APEX1CYP1A2
Methane SCHEMBL27887103 0.85 CHRNA7 (0.73) CHRNA7MPLBLMWRNTDO2
SCHEMBL12158255 0.83 CHRNA7 (1.00) CHRNA7MPLBLMWRNTDO2
SCHEMBL1884904 0.75 MAPT (0.64) APEX1CYP1A1CYP1A2CYP1B1MAOA
SCHEMBL12158245 0.75 CHRNA7 (0.57) CHRNA7MPLBLMWRNTDO2
SCHEMBL12639832 0.74 ALDH1A1 (0.59) APEX1CYP1A1CYP1A2CYP1B1DHODH
SCHEMBL1885335 0.74 DHODH (0.53) CHRNA7APEX1CYP1A1CYP1A2CYP1B1
SCHEMBL12158251 0.73 CHRNA7 (0.55) CHRNA7MPLBLMWRNTDO2
SCHEMBL18904288 0.73 CHRNA7 (0.63) CHRNA7MPLBLMWRNTDO2
SCHEMBL18904197 0.73 MAPT (0.52) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP disclosed