SCHEMBL28708574

SCHEMBL28708574

CNc1ccc(C(=CCl)c2ccccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
KCNH2 Q12809 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
MAT2A P31153 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 4/20 0.37

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
SCHEMBL9493553 0.77 ALDH1A1 (0.52) GAAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9494204 0.69 ALDH1A1 (0.44) GAAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9494198 0.69 ALDH1A1 (0.44) GAAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9494778 0.68 ALDH1A1 (0.42) GAAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9494771 0.68 ALDH1A1 (0.42) GAAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9493430 0.68 ALDH1A1 (0.42) GAAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL9493434 0.68 ALDH1A1 (0.42) GAAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL28839597 0.67 CES2 (0.52) GAAKMT2AMEN1TDP1SMN1; SMN2
SCHEMBL11703026 0.67 APP (0.45) KCNH2TP53MAPTALDH1A1ALOX15
SCHEMBL16795665 0.66 ALDH1A1 (0.48) GAAKMT2AMEN1TDP1SMN1; 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
CN-110015962-B Stilbene analogs and methods of treating cancer 肯塔基大学研究基金会 2022-03-15 CN disclosed