SCHEMBL21385072

SCHEMBL21385072

NCC(=O)OC(=O)c1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.49
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL29381825 0.89 LOXL2 (0.47) LOXL2LMNAALDH1A1KDM4EF2
SCHEMBL11499532 0.85 ADRB2 (0.48) PBRM1ADRB2ADRB1ADRB3CHRNB2
SCHEMBL8003710 0.85 PBRM1 (0.59) PBRM1ADRB2ADRB1ADRB3CHRNB2
SCHEMBL29071827 0.82 PBRM1 (0.55) PBRM1ADRB2ADRB1ADRB3CHRNB2
SCHEMBL28539853 0.82 PBRM1 (0.55) PBRM1ADRB2ADRB1ADRB3CHRNB2
SCHEMBL9950105 0.80 PBRM1 (0.53) PBRM1ADRB2ADRB1ADRB3CHRNB2
SCHEMBL9701403 0.80 PBRM1 (0.63) PBRM1ADRB2ADRB1ADRB3CHRNB2
SCHEMBL4654816 0.80 LOXL2 (0.53) PBRM1ADRB2ADRB1ADRB3CHRNB2
SCHEMBL186246 0.80 LMNA (0.52) NPC1LMNAPOLBALDH1A1KDM4E
SCHEMBL1417358 0.79 PBRM1 (0.52) PBRM1ADRB2ADRB1ADRB3CHRNB2

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
WO-2019182070-A1 LIQUID CRYSTAL ALIGNING AGENT, POLYMER FOR OBTAINING SAME, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 2019-09-26 WO disclosed