SCHEMBL29065978

SCHEMBL29065978

Nc1cc(N)cc(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
AR P10275 1/20 0.49
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
TSHR P16473 2/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
TRPA1 O75762 4/20 0.44
SCN9A Q15858 4/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
HSD11B1 P28845 2/20 0.42
DPP4 P27487 1/20 0.40
SCN5A Q14524 1/20 0.40
NOTUM Q6P988 1/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 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
SCHEMBL29805892 0.96 BACE1 (0.51) BACE1ARALOX5APFEN1TSHR
SCHEMBL3398486 0.85 SCN9A (0.53) BACE1ARALOX5APFEN1TSHR
SCHEMBL2787163 0.82 BACE1 (0.53) BACE1ARALOX5APFEN1TSHR
SCHEMBL13425749 0.80 BACE1 (0.49) BACE1ARALOX5APFEN1TRPA1
SCHEMBL2313436 0.79 AR (0.49) BACE1ARALOX5APFEN1TSHR
SCHEMBL22304414 0.78 AR (0.58) BACE1ARALOX5APFEN1TSHR
SCHEMBL10399552 0.78 BACE1 (0.47) BACE1ARALOX5APFEN1TSHR
SCHEMBL24017176 0.78 AR (0.50) BACE1ARALOX5APFEN1TSHR
SCHEMBL23934168 0.78 AR (0.50) BACE1ARTSHRTRPA1SCN9A
SCHEMBL24017164 0.78 AR (0.50) BACE1ARALOX5APFEN1TRPA1

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-116715848-A Colorless polyimide film with high heat resistance and low birefringence, and preparation and application thereof 华南理工大学 2023-09-08 CN disclosed