SCHEMBL2885020

SCHEMBL2885020

CC(Br)c1cccc(Br)c1C(C)Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
CYP1A2 P05177 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HTR2B P41595 1/20 0.34
GABRA2 P47869 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
SCHEMBL10830794 0.85 ALDH1A1 (0.38) P2RX7ALDH1A1
SCHEMBL1415336 0.85 P2RX7 (0.45) P2RX7CYP1A2GABRA1GABRG2GABRB3
SCHEMBL2884756 0.79 P2RX7 (0.41) P2RX7CYP1A2GABRA1GABRG2GABRB3
SCHEMBL3296582 0.78 HTT (0.43) P2RX7CYP1A2GABRA1GABRG2GABRB3
SCHEMBL3293339 0.78 HTT (0.43) P2RX7CYP1A2GABRA1GABRG2GABRB3
SCHEMBL1368986 0.78 HTT (0.43) P2RX7CYP1A2GABRA1GABRG2GABRB3
SCHEMBL11859274 0.77 P2RX7 (0.40) P2RX7CYP1A2GABRA1GABRG2GABRB3
SCHEMBL25392757 0.76 P2RX7 (0.56) P2RX7CYP1A2GABRA1GABRG2GABRB3
SCHEMBL10799338 0.75 P2RX7 (0.34) P2RX7
SCHEMBL8498508 0.74 GABRA1 (0.46) CYP1A2GABRA1GABRG2GABRB3FAAH

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 12 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 claimed
US-20120184638-A1 Flame Retardant Composition for Use in Styrenics LANXESS SOLUTIONS US INC. 2012-07-19 US claimed
JP-2010530439-A 2010-09-09 JP claimed
EP-2115059-A1 FLAME RETARDANT COMPOSITION FOR USE IN STYRENICS CHEMTURA CORPORATION (US) 2009-11-11 EP claimed
WO-2008127753-A1 FLAME RETARDANT COMPOSITION FOR USE IN STYRENICS CHEMTURA CORPORATION (US) 2008-10-23 WO claimed
US-20080221239-A1 Flame retardant composition for use in styrenics RECREATIONAL WATER PRODUCTS, INC. 2008-09-11 US claimed
CN-101501061-B As the macrocylc compound of antiviral MSD ITALIA S.R.L. (IT) 2016-03-09 CN disclosed
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