SCHEMBL3679708

SCHEMBL3679708

O=C1c2cc(Br)c(Br)c(Br)c2C(=O)N1c1ccc(N2C(=O)c3cc(Br)c(Br)c(Br)c3C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.57
ESR2 Q92731 3/20 0.57
CA9 Q16790 10/20 0.51
CA12 O43570 9/20 0.51
CA1 P00915 9/20 0.51
CA2 P00918 8/20 0.51
CA7 P43166 4/20 0.51
ADORA2A P29274 1/20 0.39
APAF1 O14727 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN2A Q99250 1/20 0.39
HSPA1A P0DMV8 1/20 0.39
PABPC1 P11940 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9438219 0.89 CA9 (0.57) ESR1ESR2CA9CA12CA1
SCHEMBL3676125 0.78 CA9 (0.69) ESR1ESR2CA9CA12CA1
SCHEMBL465111 0.75 ESR1 (0.31) ESR1ESR2CA9CA12CA1
SCHEMBL11801568 0.73 ESR1 (0.30) ESR1ESR2
Ethylene SCHEMBL94241 0.72
Ethane SCHEMBL5671103 0.72
SCHEMBL21841879 0.71 HSPA1A (0.51) ESR1ESR2CA9CA12CA1
SCHEMBL9438206 0.70 CA2 (0.55) ESR1ESR2CA9CA12CA1
SCHEMBL10937683 0.69 CA9 (0.59) CA9CA12CA1CA2CA7
SCHEMBL12172936 0.69 CA9 (0.60) CA9CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152803-A1 FLAME RETARDANT THERMOPLASTIC RESINOUS COMPOSITION Sabic Innovative Plastics IP B.V. (NL) 2010-02-17 EP disclosed
US-20080303006-A1 FLAME RETARDANT THERMOPLASTIC RESINOUS COMPOSTION CITIBANK, N.A., AS COLLATERAL AGENT 2008-12-11 US disclosed
WO-2008149260-A1 FLAME RETARDANT THERMOPLASTIC RESINOUS COMPOSITION SABIC INNOVATIVE PLASTICS IP B.V. (US) 2008-12-11 WO disclosed
US-5668201-A Flame retardant graft copolymer composition GENERAL ELECTRIC COMPANY (US) 1997-09-16 US disclosed
EP-0219014-A2 Flame retardant elastomeric compositions GENERAL ELECTRIC COMPANY (US) 1987-04-22 EP disclosed
US-4639486-A POLYETHERIMIDE ESTER AND HALOGENATED MATERIAL GENERAL ELECTRIC COMPANY (US) 1987-01-27 US disclosed