SCHEMBL28613871

SCHEMBL28613871

FC(F)C=C(c1ccccc1)n1cnc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
STAT6 P42226 1/20 0.44
KMT2A Q03164 4/20 0.43
ASAH1 Q13510 2/20 0.42
MEN1 O00255 2/20 0.41
DNMT3A Q9Y6K1 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 3/20 0.39
FGFR1 P11362 1/20 0.39
MITF O75030 1/20 0.37
XBP1 P17861 1/20 0.37
MDM2 Q00987 1/20 0.37
APAF1 O14727 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL28613870 1.00 SMN1; SMN2 (0.44) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL30399930 1.00 SMN1; SMN2 (0.44) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL12420180 0.81 SMN1; SMN2 (0.50) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL31561667 0.81 SMN1; SMN2 (0.53) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL9304930 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL9304918 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL5872635 0.78 KMT2A (0.51) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL5872634 0.78 KMT2A (0.51) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL11174003 0.75 KMT2A (0.49) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL28612621 0.75 GAA (0.56) KMT2AHPGDMAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292500-B Difluoromethyl building block and one-pot derivatization reaction thereof 台州学院 2023-05-09 CN disclosed
CN-113292500-A Difluoromethyl building block and one-pot derivatization reaction thereof 台州学院 2021-08-24 CN disclosed