SCHEMBL365470

SCHEMBL365470

CNC(=O)c1ccc2c(C(N)=O)c3ccccn3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ G6PD P11413 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ UBA2 Q9UBT2 1/20 0.42
▸ PLAU P00749 1/20 0.40
▸ SRC P12931 2/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.39
▸ BAZ2A Q9UIF9 1/20 0.39
▸ ACSS2 Q9NR19 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 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
SCHEMBL366370 0.88 EGFR (0.43) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL367763 0.88 BAZ2B (0.45) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL364264 0.86 MAPT (0.46) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL367329 0.85 BAZ2B (0.47) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL365258 0.84 KDM4E (0.42) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL365916 0.82 KDM4E (0.40) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL366810 0.80 PTGS2 (0.45) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL365634 0.80 CES1 (0.38) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL367200 0.78 KDM4E (0.55) EGFRKDM4EMEN1APAF1ALDH1A1
SCHEMBL366487 0.78 MAPT (0.50) EGFRKDM4EMEN1APAF1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 — — WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 — — WO disclosed
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