SCHEMBL6918968

SCHEMBL6918968

O=C(O)c1cc(Br)ccc1[AsH]C(=O)c1onc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 4/20 0.39
SORT1 Q99523 2/20 0.37
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PPARG P37231 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
ESR1 P03372 1/20 0.36
PLA2G1B P04054 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
GFER P55789 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7126776 0.81 GPR27 (0.42) MEN1KMT2AMAPTTP53
SCHEMBL6818060 0.76 AKR1C2 (0.51) MEN1KMT2ASORT1KDM4EPOLB
SCHEMBL570621 0.71 ALDH1A1 (0.47) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6914879 0.69 MAPT (0.42) MEN1KMT2AHTTRXFP1KDM4E
SCHEMBL25171022 0.69 ALDH1A1 (0.44) MEN1KMT2AHTTRXFP1KDM4E
SCHEMBL17438051 0.69 PTPN1 (0.42) MEN1KMT2AHTTRXFP1KDM4E
SCHEMBL6919808 0.68 ALDH1A1 (0.42) MEN1KMT2AHTTKDM4EPOLB
SCHEMBL6914552 0.67 SORT1 (0.42) MEN1KMT2ARXFP1SORT1KDM4E
SCHEMBL6818553 0.66 AKR1C2 (0.50) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL7129937 0.65 PHGDH (0.44)

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