SCHEMBL992489

SCHEMBL992489

CCCCCCC1(CCCCCC)c2cc(N)ccc2-c2ccc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
LTK P29376 1/20 0.35
PRKX P51817 1/20 0.35
NEK2 P51955 1/20 0.35
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
MAP4K2 Q12851 1/20 0.35
DYRK1A Q13627 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL28097916 1.00 CHEK1 (0.35) CHEK1PRKD3MAP4K4RETMET
SCHEMBL666069 0.94 MEN1 (0.37) CHEK1PRKD3MAP4K4RETMET
SCHEMBL25473018 0.91 CNR1 (0.35) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL14374366 0.91 CNR1 (0.35) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL25785294 0.91 CNR1 (0.35) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL801390 0.91 CNR1 (0.35) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL5021736 0.91 CNR1 (0.35) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL16663579 0.91 CNR1 (0.35) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL31013229 0.91 CNR1 (0.35) MEN1KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL197894 0.91 LMNA (0.36) MEN1KMT2ACNR1CNR2SMN1; SMN2

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
WO-2011008169-A1 ORGANIC AMBIPOLAR LIGHT EMITTING MATERIALS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-01-20 WO disclosed