SCHEMBL6918828

SCHEMBL6918828

O=C(Cc1csc2ccccc12)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK8 P45983 3/20 0.35
MAPK9 P45984 3/20 0.35
TP53 P04637 2/20 0.35
JUN P05412 1/20 0.35
GCGR P47871 1/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 1/20 0.33
MAPK10 P53779 2/20 0.33
BACE1 P56817 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL6710351 0.95 MAPT (0.38) MAPTMEN1KMT2AMAPK8MAPK9
SCHEMBL6713410 0.91 PKM (0.40) MAPTMEN1KMT2AMAPK8MAPK9
SCHEMBL6707757 0.90 KMT2A (0.49) MEN1KMT2AMAPK8MAPK9HDAC1
SCHEMBL6713331 0.89 PARP14 (0.38) MAPTMAPK8MAPK9TP53JUN
SCHEMBL6711647 0.86 MAPT (0.41) MAPTMEN1KMT2AMAPK8MAPK9
SCHEMBL6714324 0.86 PARP14 (0.42) MAPTMEN1KMT2ABACE1ALDH1A1
SCHEMBL6710064 0.86 ALDH1A1 (0.40) MAPTMEN1KMT2ATP53HDAC1
SCHEMBL6710320 0.85 PARP14 (0.39) MAPTMEN1KMT2ATP53RXFP1
SCHEMBL6711793 0.84 CSNK1D (0.45) MAPTMEN1KMT2ATP53HDAC1
SCHEMBL6708888 0.84 KDM4E (0.43) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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