SCHEMBL6651408

SCHEMBL6651408

CCc1nc2ccccc2c(NCc2ccc(Br)cc2)c1OC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
APP P05067 5/20 0.46
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
KMT2A Q03164 1/20 0.43
EGFR P00533 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 2/20 0.42
NTRK1 P04629 1/20 0.40
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7553111 0.92 APP (0.47) ALDH1A1L3MBTL1KDM4EAPPMAPT
SCHEMBL27463941 0.91 APP (0.46) ALDH1A1L3MBTL1KDM4EAPPMAPT
SCHEMBL6651230 0.87 APP (0.47) ALDH1A1L3MBTL1KDM4EAPPMAPT
SCHEMBL7650263 0.83 MAPT (0.53) ALDH1A1L3MBTL1KDM4EAPPMAPT
SCHEMBL6655631 0.80 APP (0.44) L3MBTL1KDM4EAPPMAPTTP53
SCHEMBL6653650 0.79 KMT2A (0.54) ALDH1A1L3MBTL1KDM4EAPPPOLB
SCHEMBL7553839 0.78 APP (0.49) L3MBTL1KDM4EAPPMAPTTP53
SCHEMBL6653990 0.76 LMNA (0.45) ALDH1A1L3MBTL1KDM4EMAPTGAA
SCHEMBL6653706 0.75 KDM4E (0.46) ALDH1A1L3MBTL1KDM4EMAPTTP53
SCHEMBL7649849 0.74 KMT2A (0.55) ALDH1A1APPMAPTTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218401-B1 4-BENZYLAMINOQUINOLINE CONJUGATES WITH BILE ACID AND THEIR HETEROANALOGUES, METHODS FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE AVENTIS PHARMA GMBH (DE) 2004-06-16 EP disclosed
EP-1218401-A1 4-BENZYLAMINOQUINOLINE CONJUGATES WITH BILE ACID AND THEIR HETEROANALOGUES, METHODS FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2002-07-03 EP disclosed
WO-2001021642-A1 4-BENZYLAMINOQUINOLINE CONJUGATES WITH BILE ACID AND THEIR HETEROANALOGUES, METHODS FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-03-29 WO disclosed