SCHEMBL6914879

SCHEMBL6914879

O=C([AsH]c1ccc(Br)cc1C(=O)O)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ESR1 P03372 1/20 0.42
PLA2G1B P04054 1/20 0.42
ALOX15 P16050 1/20 0.42
PPARG P37231 1/20 0.42
GFER P55789 1/20 0.42
ESR2 Q92731 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL6919808 0.79 ALDH1A1 (0.42) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6933566 0.72 CYP1A2 (0.61) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6914552 0.69 SORT1 (0.42) MAPTKMT2AMEN1KDM4ERXFP1
SCHEMBL6918968 0.69 MEN1 (0.42) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6919354 0.66 AKR1C2 (0.62) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3811314 0.65 CES2 (0.68) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL24446 0.65
SCHEMBL618056 0.63 KDM4E (0.65) KDM4EHPGDALOX15GLACES2
SCHEMBL25212901 0.63
Water SCHEMBL728285 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed