SCHEMBL6914679

SCHEMBL6914679

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)Cc4ccc(Cl)cc4Cl)c3[nH]2)c(C(=O)O)c1.N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)Cc4ccccc4Cl)c3[nH]2)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
NHERF1 O14745 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
TRPM4 Q8TD43 1/20 0.39
SERPINE1 P05121 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
PTGER4 P35408 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
PARP14 Q460N5 1/20 0.38
POLB P06746 1/20 0.38
G6PD P11413 1/20 0.38
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 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
SCHEMBL6830511 0.97 NHERF1 (0.44) KDM4EGAANHERF1MEN1KMT2A
SCHEMBL6833087 0.95 MEN1 (0.44) KDM4EGAANHERF1MEN1KMT2A
SCHEMBL6914683 0.92 NHERF1 (0.39) KDM4EGAANHERF1MEN1KMT2A
SCHEMBL6830460 0.87 TRPM4 (0.42) KDM4EGAANHERF1MEN1KMT2A
SCHEMBL6834299 0.86 MEN1 (0.56) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL6834079 0.86 NHERF1 (0.44) KDM4EGAANHERF1MEN1KMT2A
SCHEMBL6833821 0.86 NHERF1 (0.43) KDM4EGAANHERF1MEN1KMT2A
SCHEMBL6830741 0.86 ALDH1A1 (0.47) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL6834504 0.84 LMNA (0.47) KDM4ENHERF1MEN1KMT2ALMNA
SCHEMBL6834412 0.84 KDM4E (0.55) KDM4EGAAMEN1KMT2ALMNA

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