SCHEMBL4201823

SCHEMBL4201823

O=C(Cc1ccccc1)Cc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.62
CNR2 P34972 2/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
AKR1B1 P15121 1/20 0.54
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL1449785 0.91 MEN1 (0.52) L3MBTL1CES2CES1EGFRERBB2
SCHEMBL10522051 0.90 ALDH1A1 (0.58) L3MBTL1CNR2CES2CES1AKR1B1
SCHEMBL8346280 0.88 CES2 (0.59) L3MBTL1CNR2CES2CES1AKR1B1
SCHEMBL77563 0.86 CES1 (0.70) L3MBTL1CES2CES1AKR1B1ALDH1A1
SCHEMBL2432358 0.84 LMNA (0.48) L3MBTL1EGFRERBB2ALDH1A1LMNA
Bromobenzene SCHEMBL27691129 0.84 ALDH1A1 (0.51) L3MBTL1CNR2EGFRERBB2ALDH1A1
Hydrochloric Acid SCHEMBL27690655 0.84 CES1 (0.67) L3MBTL1CES2CES1AKR1B1ALDH1A1
SCHEMBL9693670 0.84 CES1 (0.67) L3MBTL1CES2CES1AKR1B1ALDH1A1
Methyl Alcohol SCHEMBL11054071 0.81 CES1 (0.64) L3MBTL1CES2CES1AKR1B1ALDH1A1
SCHEMBL13432984 0.81 MEN1 (0.44) L3MBTL1EGFRERBB2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109046463-B Bidentate aza-carbene-manganese catalyst, preparation method and alkylation synthesis application thereof 中山大学 2021-05-04 CN disclosed
CN-109046463-A Bidentate azepine Cabbeen Mn catalyst and preparation method thereof and alkylation synthesis application 中山大学 2018-12-21 CN disclosed
EP-1476416-B1 MULTIFUNCTIONAL MONOMERS AND THEIR USE IN MAKING CROSS-LINKED POLYMERS AND POROUS FILMS DOW GLOBAL TECHNOLOGIES LLC (US) 2015-12-30 EP disclosed
US-7635741-B2 Curable polyacetylenes used as dielectrics in making microelectronics such as integrated circuits DOW GLOBAL TECHNOLOGIES INC. 2009-12-22 US disclosed
US-20070027280-A1 Multifunctional substituted monomers and polyarylene compositions therefrom HAHNFELD JERRY L 2007-02-01 US disclosed
EP-1476416-A2 MULTIFUNCTIONAL MONOMERS AND THEIR USE IN MAKING CROSS-LINKED POLYMERS AND POROUS FILMS DOW GLOBAL TECHNOLOGIES INC. (US) 2004-11-17 EP disclosed
WO-2004090018-A1 MULTIFUNCTIONAL SUBSTITUTED MONOMERS AND POLYARYLENE COMPOSITIONS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-10-21 WO disclosed
US-20040053033-A1 Multifunctional monomers and their use in making cross-linked polymers and porous films NIU Q JASON (US) 2004-03-18 US disclosed
WO-2003068825-A2 MULTIFUNCTIONAL MONOMERS AND THEIR USE IN MAKING CROSS-LINKED POLYMERS AND POROUS FILMS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-08-21 WO disclosed
US-4980508-A Oxidation of 1,2-disulonyhydrazine compound with concentrated nitric acid MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-12-25 US disclosed