SCHEMBL7530972

SCHEMBL7530972

COc1cc(OC)c(NC=O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 6/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL28389628 0.85 MAOB (0.49) KDM4EMAPTALDH1A1KMT2ALMNA
SCHEMBL19415662 0.84 PRKDC (0.43) KDM4EMAPTALDH1A1KMT2ALMNA
SCHEMBL28285145 0.84 KDM4E (0.48) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL28617698 0.84 HTT (0.47) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL13696659 0.82 ALDH1A1 (0.51) KDM4EMAPTALDH1A1KMT2ALMNA
SCHEMBL27582567 0.77 KMT2A (0.60) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL1758548 0.76 KMT2A (0.57) KDM4EMAPTALDH1A1KMT2ALMNA
SCHEMBL7530694 0.76 HTT (0.50) KDM4EMAPTALDH1A1KMT2ALMNA
SCHEMBL8901392 0.75 GAA (0.49) KDM4EMAPTALDH1A1KMT2ALMNA
SCHEMBL7530969 0.74 ALDH1A1 (0.51) KDM4EMAPTALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
US-4140860-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-20 US disclosed
US-4119668-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1978-10-10 US disclosed
US-4085144-A ANTIBACTERIAL STERLING DRUG INC. (US) 1978-04-18 US disclosed
US-4022833-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1977-05-10 US disclosed