SCHEMBL4448667

SCHEMBL4448667

Cc1ccc(Br)c(Br)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 2/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 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
SCHEMBL5273045 0.81 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL2999591 0.79 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL29702059 0.79 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL2892194 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL19472050 0.75 CYP3A4 (0.38) ALDH1A1CYP3A4
SCHEMBL7635249 0.75 P2RX7 (0.33) CYP3A4
SCHEMBL6582691 0.75 CYP3A4 (0.43) ALDH1A1CYP3A4
SCHEMBL20137111 0.75 CYP3A4 (0.37) ALDH1A1CYP3A4
SCHEMBL338178 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL29403294 0.73 CYP3A4 (0.41) ALDH1A1CYP3A4

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 disclosed
US-20120184638-A1 Flame Retardant Composition for Use in Styrenics LANXESS SOLUTIONS US INC. 2012-07-19 US disclosed
CN-102329267-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-25 CN disclosed
CN-102311387-A 6-substituted 2,3,4, 5-tetrahydro-1H-benzo [d] aza as 5-HT2Creceptor agonists LILLY CO ELI 2012-01-11 CN disclosed
EP-2115059-A1 FLAME RETARDANT COMPOSITION FOR USE IN STYRENICS CHEMTURA CORPORATION (US) 2009-11-11 EP disclosed
CN-100455570-C Quinolinone/benzo  oxazinone derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2009-01-28 CN 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
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
CN-1759101-A Quinolinone / benzoxazinone derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2006-04-12 CN disclosed
EP-0238753-A1 N-substituted condensed polymethylene imine derivatives BEECHAM GROUP PLC (GB) 1987-09-30 EP 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