SCHEMBL4448671

SCHEMBL4448671

Cc1c(Cl)cc(Br)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 5/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AHR P35869 5/20 0.37
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CRHR1 P34998 1/20 0.34
PRNP P04156 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NOD2 Q9HC29 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1751110 0.85 NMT1 (0.50) NMT1CYP3A4TSHRTDP1AHR
SCHEMBL642403 0.82 TSHR (0.47) CYP3A4TSHRTDP1AHRGABRA1
SCHEMBL10495441 0.81 ALDH1A1 (0.41) CYP3A4TSHRAHRKMT2AHPGD
SCHEMBL30494020 0.81 ALDH1A1 (0.41) CYP3A4TSHRAHRKMT2AHPGD
SCHEMBL8354359 0.78 NMT1 (0.39) NMT1CYP3A4AHRMAPTMEN1
SCHEMBL24616492 0.77 CYP3A4 (0.52) CYP3A4TSHRAHRMAPTALDH1A1
SCHEMBL17466062 0.77 AGTR1 (0.32) AHR
SCHEMBL22265085 0.77 CA1 (0.32) NMT1AHRCA1CA2CA9
SCHEMBL22265086 0.77 CYP3A4 (0.46) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL31568142 0.77 AHR (0.30) AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513346-B2 Flame retardant composition for use in styrenics CHEMTURA CORPORATION (US) 2013-08-20 US disclosed
US-20120184638-A1 Flame Retardant Composition for Use in Styrenics LANXESS SOLUTIONS US INC. 2012-07-19 US disclosed
EP-2115059-A1 FLAME RETARDANT COMPOSITION FOR USE IN STYRENICS CHEMTURA CORPORATION (US) 2009-11-11 EP disclosed
WO-2008127753-A1 FLAME RETARDANT COMPOSITION FOR USE IN STYRENICS CHEMTURA CORPORATION (US) 2008-10-23 WO disclosed
US-20080221239-A1 Flame retardant composition for use in styrenics RECREATIONAL WATER PRODUCTS, INC. 2008-09-11 US disclosed
EP-0023415-A2 A method of mounting ventilators, lights and the like in sealed relation to an opening and a preformed sealing material for use in such a method COLT INTERNATIONAL HOLDINGS A.G. (CH) 1981-02-04 EP disclosed
US-4223172-A DEHYDROGENATION HALOGENATIVE WITH PALLADIUM-PHOSPHINE COMPLEX CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-09-16 US disclosed