SCHEMBL6495822

SCHEMBL6495822

Cc1sc(-c2ccc(Cl)cc2Cl)nc1C(=O)NCc1cc(CC(OC(C)C)C(=O)OC(=O)C(F)(F)F)ccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 4/20 0.39
SHMT2 P34897 3/20 0.39
CNR1 P21554 4/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
PDE4B Q07343 2/20 0.33
PDE11A Q9HCR9 2/20 0.33
HPGD P15428 1/20 0.33
WDR5 P61964 3/20 0.33
KLKB1 P03952 1/20 0.33
EPHX2 P34913 1/20 0.33
CFTR P13569 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL6505593 0.92 ADORA2A (0.35) KDM4ECDC7DBF4HPGD
SCHEMBL6504395 0.91 PPARA (0.37) CNR1CNR2MAPTWDR5KLKB1
Trifluoroacetic Acid SCHEMBL6495816 0.90 SHMT1 (0.44) SHMT1SHMT2CNR1CNR2KDM4E
SCHEMBL6498709 0.88 CDK2 (0.34) MAPTWDR5KLKB1
SCHEMBL6531507 0.86 PARP1 (0.36) KDM4EMAPTHPGDKMT2A
SCHEMBL6505045 0.86 SMN1; SMN2 (0.35) KDM4EHPGDKMT2A
SCHEMBL6499174 0.85 ADORA1 (0.38) KDM4EMAPTHPGDWDR5KMT2A
SCHEMBL6505057 0.85 HPGD (0.48) HPGDKLKB1EPHX2KMT2A
SCHEMBL6494741 0.84 PPARA (0.39) MAPTWDR5KMT2A
SCHEMBL6503597 0.84 KDM4E (0.36) KDM4EMAPTKLKB1KMT2A

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed