SCHEMBL28150779

SCHEMBL28150779

Cc1coc2ccc(C(=O)N/N=C/c3ccc(Br)cc3)c(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 5/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 5/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL28150782 1.00 KMT2A (0.48) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL28150650 0.91 PKM (0.48) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL28150648 0.91 PKM (0.48) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL28150658 0.91 MAPT (0.52) KMT2ALMNAPOLBNPC1MAPT
SCHEMBL28150661 0.91 MAPT (0.52) KMT2ALMNAPOLBNPC1MAPT
SCHEMBL28150790 0.89 NPC1 (0.50) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL28150647 0.89 KMT2A (0.45) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL28150791 0.89 NPC1 (0.50) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL28150642 0.89 KMT2A (0.45) KMT2ALMNAPOLBMEN1NPC1
SCHEMBL28845327 0.89 NPC1 (0.52) KMT2APOLBMEN1NPC1MAPT

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-106749135-B Substituted benzofuran formyl hydrazone analog derivative and preparation method thereof 浙江大学 2019-07-19 CN disclosed
CN-106749135-A Substituted benzofuran formyl hydrazone analog derivative and preparation method thereof 浙江大学 2017-05-31 CN disclosed