SCHEMBL7524030

SCHEMBL7524030

COc1ccc(Br)c(Cl)c1C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ERN1 O75460 1/20 0.41
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7524057 0.86 CA9 (0.53) ALDH1A1ERN1CA9CA12CA1
SCHEMBL21416073 0.84 ALDH1A1 (0.42) ALDH1A1ERN1CA9CA12CA1
SCHEMBL5610107 0.82 ERN1 (0.45) ALDH1A1ERN1CA9CA12CA1
SCHEMBL11521097 0.82 TSHR (0.44) ALDH1A1ERN1CA9CA12CA1
SCHEMBL7522484 0.79 LMNA (0.48) ALDH1A1CA9CA12CA1CA2
SCHEMBL422456 0.79 ALDH1A1 (0.43) ALDH1A1ERN1CYP1A2CYP2C19HPGD
SCHEMBL16239034 0.76 CA12 (0.55) ALDH1A1CA9CA12CA1CA2
SCHEMBL6828227 0.75 CA12 (0.48) ALDH1A1ERN1CA9CA12CA1
SCHEMBL29869602 0.75 CA12 (0.48) ALDH1A1ERN1CA9CA12CA1
SCHEMBL6865460 0.74 NQO2 (0.41) ALDH1A1ERN1CA9CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1300084-C 2-methoxy diphenyl ketone compound intermediate and its preparation method AMERICAN CYANAMID CO (US) 2007-02-14 CN disclosed
CN-1495153-A 2-methoxy diphenyl ketone compound intermediate and its preparation method 2004-05-12 CN disclosed
CN-1147456-C Fungicidal 2-methoxybenzophenones 2004-04-28 CN disclosed
EP-0897904-B1 Fungicidal 2-methoxybenzophenones BASF AG (DE) 2002-02-20 EP disclosed
US-6001883-A SUBSTITUTED BENZOPHENONES OF GIVEN FORMULA, SUCH AS 6,6'-DIMETHYL-2,2',3',4'-TETRAMETHOXY-5-TRIFLUOROMETHYL-BENZOPHENONE; HIGHLY SYSTEMIC FUNGICIDES; CONTROLLING FUNGAL DISEASE SUCH AS POWDERY MILDEW IN PLANTS AMERICAN CYANAMID COMPANY (US) 1999-12-14 US disclosed
US-5945567-A Fungicidal 2-methoxybenzophenones AMERICAN CYANAMID COMPANY (US) 1999-08-31 US disclosed
US-5922905-A INTERMEDIATES FOR FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed
CN-1217317-A Fungicidal 2-methoxybenzophenones AMERICAN CYANAMID CO (US) 1999-05-26 CN disclosed
EP-0897904-A1 Fungicidal 2-methoxybenzophenones American Cyanamid Company (US) 1999-02-24 EP disclosed