SCHEMBL6914552

SCHEMBL6914552

O=C([AsH]c1ccc(Br)cc1C(=O)O)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 6/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ACLY P53396 1/20 0.37
DHODH Q02127 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
METAP2 P50579 1/20 0.36
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL6833304 0.72 AKR1C2 (0.61) SORT1KDM4EACLYDHODHMEN1
SCHEMBL6919808 0.70 ALDH1A1 (0.42) KDM4EGLAGRIN1GRIN2AGRIN2B
SCHEMBL6914879 0.69 MAPT (0.42) KDM4EGLAMEN1KMT2AMAPT
SCHEMBL6919354 0.69 AKR1C2 (0.62) KDM4EMEN1KMT2AMAPT
SCHEMBL31266680 0.67 DHODH (0.62) KDM4EGLADHODHMEN1KMT2A
SCHEMBL6918968 0.67 MEN1 (0.42) SORT1KDM4EGLADHODHMEN1
SCHEMBL7067508 0.67 AKR1C3 (0.45) KDM4EGLAMEN1KMT2AMAPT
SCHEMBL30249448 0.66 ALDH1A1 (0.63) SORT1KDM4EGLADHODHKMT2A
SCHEMBL18214 0.66 ALDH1A1 (0.63) SORT1KDM4EGLADHODHKMT2A
SCHEMBL25379770 0.66 DHODH (0.50) SORT1KDM4EGLADHODHMEN1

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