SCHEMBL1828510

SCHEMBL1828510

CC(O)C(=O)Oc1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRM4 Q14833 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ACHE P22303 1/20 0.38
LY96 Q9Y6Y9 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR7 P34969 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL16163751 0.87 ELANE (0.46) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL1983996 0.84 LMNA (0.39) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL27632858 0.81 KMT2A (0.43) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL28036322 0.81 GRM4 (0.42) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL31621484 0.79 ELANE (0.46) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL3361719 0.79 KMT2A (0.53) KMT2AATMSMN1; SMN2LMNAALDH1A1
SCHEMBL352382 0.79 CA1 (0.47) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL1343624 0.79 ELANE (0.46) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL1826831 0.79 TDP1 (0.47) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL1822201 0.78 ALDH1A1 (0.49) KMT2AMEN1GAASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
EP-1576108-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC (US) 2015-07-08 EP disclosed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP disclosed
EP-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 EP disclosed
CN-1849391-B Nitrilases, nucleic acids encoding nitrilases, and methods of making and using the same DIVERSA CORP 2014-06-11 CN disclosed
EP-2115153-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BP CORP NORTH AMERICA INC (US) 2013-06-05 EP disclosed
CN-102796750-A Nitrilases, nucleic acids encoding them and methods for making and using Them VERENIUM CORP 2012-11-28 CN disclosed
CN-101528707-B 2- [ 1-phenyl-5-hydroxy or methoxy-4 alpha-methyl-hexahydrocyclopenta [ f ] indazol-5-yl ] ethylphenyl derivatives useful as glucocorticoid receptor ligands MERCK SHARP & DOHME 2012-11-07 CN disclosed
EP-2327766-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327767-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327765-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2319919-A1 Nitrilases Verenium Corporation (US) 2011-05-11 EP disclosed
CN-101528707-A 2- [ 1-phenyl-5-hydroxy or methoxy-4 alpha-methyl-hexahydrocyclopenta [ f ] indazol-5-yl ] ethylphenyl derivatives useful as glucocorticoid receptor ligands MERCK & CO INC (US) 2009-09-09 CN disclosed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP disclosed
CN-1849391-A Nitrilases, nucleic acids encoding nitrilases, and methods of making and using the same DIVERSA CORP (US) 2006-10-18 CN disclosed