SCHEMBL21078370

SCHEMBL21078370

Brc1ccc(/N=C(\c2ccccc2)c2cccc(/C(=N/c3ccc(Br)cc3)c3ccccc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.50
ESR2 Q92731 4/20 0.50
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
PLAU P00749 1/20 0.40
NOS1 P29475 2/20 0.39
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GRIN2D O15399 1/20 0.34

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
SCHEMBL16077912 0.88 ESR1 (0.52) ESR1ESR2SLC22A2SLC22A1SLC22A3
SCHEMBL986215 0.84 ESR2 (0.68) ESR1ESR2SLC22A2SLC22A1SLC22A3
SCHEMBL21078350 0.83 ESR1 (0.50) ESR1ESR2SLC22A2SLC22A1SLC22A3
SCHEMBL25876660 0.80 ESR1 (0.37) ESR1ESR2KMT2AGAAMEN1
SCHEMBL25876652 0.77 NOS3 (0.37) ESR1ESR2NOS1KMT2AGAA
SCHEMBL25876650 0.76 SIGMAR1 (0.43) ESR1ESR2GAATSHRNPC1
SCHEMBL25876628 0.74 NOS1 (0.52) ESR1ESR2SLC22A2SLC22A1SLC22A3
SCHEMBL22921018 0.73 ESR1 (0.36) ESR1ESR2KMT2AGAAKDM4E
SCHEMBL6761811 0.72 ESR1 (0.47) ESR1ESR2NOS1KMT2AMEN1
SCHEMBL23975016 0.72 ALDH1A1 (0.36) ESR1ESR2KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712687-B2 Catalyst systems and polymerization processes for using the same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-08-01 US disclosed
US-11712687-B2 Catalyst systems and polymerization processes for using the same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-08-01 US disclosed
US-10926250-B2 Catalyst systems and polymerization processes for using the same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-02-23 US disclosed
US-20190168203-A1 Catalyst Systems and Polymerization Processes for Using the Same EXXONMOBIL CHEMICAL PATENTS INC. 2019-06-06 US disclosed