SCHEMBL7530969

SCHEMBL7530969

COc1cc(OC)c(N[C]=O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7530691 0.76 LPAR1 (0.49) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL1758545 0.76 KMT2A (0.57) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL7530972 0.74 KDM4E (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4466528 0.73 SMN1; SMN2 (0.51) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL4324973 0.73 KDM4E (0.68) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL16609990 0.72 GAA (0.68) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL8118521 0.71 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2203557 0.70 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL1758610 0.70 KMT2A (0.53) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL1758833 0.70 ACHE (0.50) ALDH1A1KDM4EMAPTKMT2AMEN1

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