SCHEMBL28119331

SCHEMBL28119331

O=C(NC=CCl)c1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
GAA P10253 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MPO P05164 1/20 0.55
HIF1A Q16665 1/20 0.55
HPGD P15428 7/20 0.50
HTT P42858 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
LMNA P02545 4/20 0.50
NPC1 O15118 4/20 0.50
HSD17B10 Q99714 4/20 0.50
TP53 P04637 3/20 0.50
ALDH1A1 P00352 6/20 0.47
CYP2D6 P10635 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C9 P11712 1/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL11017521 0.88 KDM4E (0.63) KDM4EGAASMN1; SMN2MPOHIF1A
SCHEMBL28301551 0.79 NPC1 (0.64) KDM4EGAASMN1; SMN2MPOHIF1A
SCHEMBL2132346 0.79 KDM4E (0.61) KDM4EGAASMN1; SMN2MPOHIF1A
SCHEMBL30214938 0.78 KDM4E (0.55) KDM4EGAASMN1; SMN2MPOHIF1A
SCHEMBL28331702 0.78 KDM4E (0.55) KDM4EGAASMN1; SMN2MPOHIF1A
SCHEMBL11693553 0.78 KDM4E (0.55) KDM4EGAASMN1; SMN2MPOHIF1A
SCHEMBL7315153 0.77 KDM4E (0.59) KDM4EGAASMN1; SMN2MPOHIF1A
Water SCHEMBL28330330 0.75 KDM4E (0.52) KDM4EGAASMN1; SMN2MPOHIF1A
SCHEMBL10434861 0.74 KDM4E (0.65) KDM4EGAASMN1; SMN2MPOHIF1A
SCHEMBL77381 0.73 CA1 (0.77) KDM4EGAASMN1; SMN2MPOHIF1A

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-106218182-A A kind of preparation method of moldproof polyethylene light-type conveyer belt 上海永利带业股份有限公司 2016-12-14 CN claimed
CN-106218182-A A kind of preparation method of moldproof polyethylene light-type conveyer belt 上海永利带业股份有限公司 2016-12-14 CN disclosed