SCHEMBL7702609

SCHEMBL7702609

Cc1cc([As]=Nc2ccccn2)cc(C)c1-c1ccc(-c2c(C)cc([As]=Nc3ccccn3)cc2C)o1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
PLAU P00749 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
SCHEMBL7702607 1.00 KDM4E (0.34) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL3367041 0.77 MAOA (0.51) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL3367045 0.77 MAOA (0.51) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL3366821 0.64 MAOA (0.49) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL3366827 0.64 MAOA (0.49) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL6753614 0.59 KCNH2 (0.43) KDM4EMAPTKMT2AL3MBTL1MAOA
SCHEMBL6753613 0.59 KCNH2 (0.43) KDM4EMAPTKMT2AL3MBTL1MAOA
SCHEMBL3367097 0.58 MAOA (0.62) KDM4EMAPTKMT2AL3MBTL1ADRA2A
SCHEMBL3367085 0.58 MAOA (0.62) KDM4EMAPTKMT2AL3MBTL1ADRA2A
SCHEMBL28506584 0.57

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-2002036588-A2 REVERSED AMIDINES AND METHODS OF USING FOR TREATING, PREVENTING, OR INHIBITING LEISHMANIASIS U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2002-05-10 WO disclosed