SCHEMBL28294020

SCHEMBL28294020

Cc1cc(-c2cc(C=C3SC(=O)NC3=O)ccc2OC(F)(F)F)c2c(c1)C(C)(C)C=CC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.56
RXRA P19793 1/20 0.55
PIM1 P11309 9/20 0.52
PIM2 Q9P1W9 9/20 0.52
TTR P02766 1/20 0.47
CISD1 Q9NZ45 1/20 0.47
PDE4B Q07343 1/20 0.46
PIM3 Q86V86 1/20 0.46
HPGD P15428 1/20 0.44
ESRRA P11474 4/20 0.43
CYP3A4 P08684 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
AKR1B1 P15121 2/20 0.42
PTPN1 P18031 1/20 0.42
IGF1R P08069 1/20 0.41

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
SCHEMBL6450433 0.87 RXRA (0.66) SCN9ARXRAPIM1PIM2TTR
SCHEMBL6450432 0.87 RXRA (0.66) SCN9ARXRAPIM1PIM2TTR
SCHEMBL1619112 0.79 RXRA (0.69) SCN9ARXRAPIM1PIM2TTR
SCHEMBL304434 0.79 RXRA (0.69) SCN9ARXRAPIM1PIM2TTR
SCHEMBL304433 0.79 RXRA (0.69) SCN9ARXRAPIM1PIM2TTR
SCHEMBL14492768 0.77 RXRA (0.57) SCN9ARXRAPIM1PIM2TTR
SCHEMBL5484611 0.77 RXRA (0.57) SCN9ARXRAPIM1PIM2TTR
SCHEMBL5484607 0.77 RXRA (0.57) SCN9ARXRAPIM1PIM2TTR
SCHEMBL5757584 0.77 RXRA (0.63) SCN9ARXRAPIM1PIM2TTR
SCHEMBL5791119 0.77 RXRA (0.63) SCN9ARXRAPIM1PIM2TTR

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
CN-109715637-A Glucokinase activators and its application method 百时美施贵宝公司 2019-05-03 CN disclosed