SCHEMBL2875869

SCHEMBL2875869

COC(=O)c1cc(Br)cc([N+](=O)[O-])c1Nc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.38
MEN1 O00255 8/20 0.34
KMT2A Q03164 8/20 0.34
MAPT P10636 5/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SLC6A4 P31645 2/20 0.32
CHEK1 O14757 1/20 0.32
ALDH1A1 P00352 1/20 0.32
OPRK1 P41145 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL23925436 0.79 MEN1 (0.52) MEN1KMT2AMAPTHSP90AA1MAPK1
SCHEMBL30198468 0.79 MEN1 (0.52) MEN1KMT2AMAPTHSP90AA1MAPK1
SCHEMBL2872649 0.78 AGTR1 (0.39) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL2878703 0.76 ALDH1A1 (0.40) SLC6A3MAPTLMNASLC6A4ALDH1A1
SCHEMBL2872648 0.75 EIF4E (0.36) MEN1KMT2AKDM4EAKR1C3AKR1C2
SCHEMBL5460987 0.70 ALDH1A1 (0.42) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL5636136 0.69 SLC6A3 (0.49) SLC6A3MEN1KMT2AMAPTKDM4E
SCHEMBL16110049 0.68 PDGFRB (0.43) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL25302825 0.65 KMT2A (0.42) MEN1KMT2AMAPTHSP90AA1MAPK1
SCHEMBL30258140 0.65 KMT2A (0.42) MEN1KMT2AMAPTHSP90AA1MAPK1

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-2010067912-A1 METHODS FOR PREPARING BIPHENYL BENZOIC ACID DERIVATIVES PHARMACOSTECH CO., LTD. (KR) 2010-06-17 WO disclosed