SCHEMBL6918285

SCHEMBL6918285

O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3noc(=O)[nH]3)[nH]c12.O=C(Cc1cccc(Cl)c1)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3noc(=O)[nH]3)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.42
TRPV1 Q8NER1 1/20 0.40
GRIK1 P39086 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CLK1 P49759 1/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNQ2 O43526 4/20 0.36
PLCG2 P16885 1/20 0.36
GAA P10253 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
CSNK1D P48730 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
SCHEMBL6711895 0.98 PARP14 (0.44) PARP14TRPV1GRIK1KDM4EMAPT
SCHEMBL6708770 0.95 GRIK1 (0.41) PARP14GRIK1POLBLMNAMEN1
SCHEMBL6713394 0.92 PARP14 (0.42) PARP14GRIK1KDM4EMAPTPOLB
SCHEMBL6709861 0.91 GRIK1 (0.41) PARP14GRIK1KDM4EPOLBMEN1
SCHEMBL6712138 0.90 PARP14 (0.43) PARP14TRPV1GRIK1KDM4EMAPT
SCHEMBL6707625 0.90 GSK3A (0.41) PARP14TRPV1GRIK1POLBLMNA
SCHEMBL6707881 0.89 PARP14 (0.42) PARP14GRIK1MAPTPOLBLMNA
SCHEMBL6711883 0.89 PTK2B (0.39) GRIK1KDM4EMAPTPOLBLMNA
SCHEMBL6709181 0.89 GRIK1 (0.44) GRIK1MAPTPOLBLMNAMEN1
SCHEMBL6707991 0.89 PTK2B (0.41) PARP14GRIK1KDM4EMAPTMEN1

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-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed