SCHEMBL28101012

SCHEMBL28101012

O=P(Oc1ccccc1)(c1ccccc1)c1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 3/20 0.43
SRC P12931 1/20 0.42
MAPT P10636 8/20 0.41
MAPK1 P28482 3/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPA1 O75762 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL331195 0.84 L3MBTL1 (0.67) TDP1L3MBTL1ALDH1A1SRCMEN1
Phosphine SCHEMBL28875449 0.82 L3MBTL1 (0.64) TDP1L3MBTL1ALDH1A1SRCMEN1
SCHEMBL29207963 0.82 L3MBTL1 (0.64) TDP1L3MBTL1ALDH1A1SRCMEN1
SCHEMBL35394 0.80 L3MBTL1 (0.60) TDP1L3MBTL1ALDH1A1SRCMEN1
SCHEMBL22321992 0.80 L3MBTL1 (0.68) TDP1L3MBTL1ALDH1A1SRCMAPT
Phosphoric Acid SCHEMBL31388606 0.79 SRC (0.61) TDP1L3MBTL1ALDH1A1SRCTSHR
SCHEMBL27845142 0.78 MEN1 (0.59) TDP1L3MBTL1ALDH1A1SRCMAPT
SCHEMBL914027 0.78 ESR1 (0.57) TDP1L3MBTL1ALDH1A1SRCMEN1
SCHEMBL22321994 0.77 CA2 (0.58) TDP1L3MBTL1ALDH1A1SRCMAPT
SCHEMBL9625396 0.77 ALDH1A1 (0.50) TDP1L3MBTL1ALDH1A1SRCMAPT

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-105968136-B A kind of preparation method of fragrance phosphonate compound 北京大学 2018-12-07 CN disclosed
CN-105968136-A Preparation method of aromatic phosphonate compound 北京大学 2016-09-28 CN disclosed