SCHEMBL6664650

SCHEMBL6664650

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCCNc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 3/20 0.43
EGFR P00533 2/20 0.43
BLM P54132 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAD52 P43351 2/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
MAOA P21397 1/20 0.42
KLK5 Q9Y337 1/20 0.41
CA2 P00918 1/20 0.40
PABPC1 P11940 1/20 0.40

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
SCHEMBL6659896 1.00 MALT1 (0.44) MALT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6661989 0.94 MAPT (0.47) MALT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6662275 0.94 MAPT (0.47) MALT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6662026 0.91 MALT1 (0.45) MALT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6658627 0.91 MALT1 (0.45) MALT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6659165 0.85 MAPT (0.41) MALT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6664355 0.85 MAPT (0.41) MALT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6657720 0.85 MAPT (0.47) MALT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6666346 0.85 MAPT (0.47) MALT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6663735 0.84 CTSS (0.48) KLK5APP

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
EP-1490372-A1 FUNGICIDAL TRIAZOLOPYRIMIDINES, METHODS FOR PRODUCING THE SAME, USE THEREOF FOR COMBATING HARMFUL FUNGI AND AGENTS CONTAINING SAID SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2004-12-29 EP disclosed
WO-2003080615-A1 FUNGICIDAL TRIAZOLOPYRIMIDINES, METHODS FOR PRODUCING THE SAME, USE THEREOF FOR COMBATING HARMFUL FUNGI AND AGENTS CONTAINING SAID SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed