SCHEMBL30003100

SCHEMBL30003100

COc1ccc2c(c1)C(=O)C(Cl)=C(N)C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.55
NSD2 O96028 1/20 0.55
HK1 P19367 1/20 0.55
PAX8 Q06710 1/20 0.55
CYP19A1 P11511 2/20 0.49
ALKBH3 Q96Q83 1/20 0.47
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PTPN1 P18031 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
LCK P06239 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 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
SCHEMBL23271934 1.00 TDP2 (0.55) TDP2NSD2HK1PAX8CYP19A1
SCHEMBL9656985 0.88 ALKBH3 (0.53) CYP19A1ALKBH3ESR1ESR2PTPN1
SCHEMBL30004012 0.88 ALKBH3 (0.53) CYP19A1ALKBH3ESR1ESR2PTPN1
SCHEMBL7811878 0.80 ESR1 (0.55) NSD2CYP19A1ALKBH3ESR1ESR2
SCHEMBL9177813 0.80 ESR1 (0.51) CYP19A1ESR1ESR2PTPN1CA1
SCHEMBL7811392 0.80 ESR1 (0.55) NSD2CYP19A1ALKBH3ESR1ESR2
SCHEMBL7451901 0.80 CA1 (0.57) CYP19A1ESR1ESR2PTPN1CA1
SCHEMBL2252533 0.80 CA1 (0.57) CYP19A1ESR1ESR2PTPN1CA1
SCHEMBL16745457 0.79 ALKBH3 (0.52) ALKBH3ESR1ESR2PTPN1MAPT
SCHEMBL9628518 0.78 CYP19A1 (0.47) CYP19A1ALKBH3ESR1ESR2PTPN1

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
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed