SCHEMBL6917364

SCHEMBL6917364

CC(C)CC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12.COCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.38
MAP3K5 Q99683 1/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
PTK2 Q05397 1/20 0.33
PTK2B Q14289 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL6711411 0.95 GPR35 (0.42) GPR35MAP3K5TP53MAPTPOLB
SCHEMBL6708559 0.95 MAP3K5 (0.38) GPR35MAP3K5TP53MAPTMAPK1
SCHEMBL6820655 0.89 GAA (0.34) MAP3K5TP53MAPTMAPK1TDP1
SCHEMBL6709867 0.88 GPR35 (0.39) GPR35MAP3K5TP53MAPTPOLB
SCHEMBL6712466 0.87 GPR35 (0.39) GPR35MAP3K5TP53MAPTMAPK1
SCHEMBL6707737 0.87 GPR35 (0.40) GPR35MAP3K5TP53MAPTMAPK1
SCHEMBL6710241 0.86 GPR35 (0.43) GPR35MAP3K5TP53MAPTMAPK1
SCHEMBL6711904 0.86 MAP3K5 (0.36) GPR35MAP3K5TP53MAPTMAPK1
SCHEMBL6714268 0.85 LMNA (0.39) MAP3K5TP53MAPTPOLBLMNA
SCHEMBL6712028 0.85 MAP3K5 (0.38) MAP3K5TP53MAPTMAPK1TDP1

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