SCHEMBL6653145

SCHEMBL6653145

COC(=O)Oc1c(C)nc2cccc(C)c2c1NCc1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.36
TCF7L2 Q9NQB0 4/20 0.36
ELANE P08246 2/20 0.36
CTRB1 P17538 1/20 0.36
APP P05067 2/20 0.36
POLB P06746 1/20 0.36
MCHR1 Q99705 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7554973 0.91 APP (0.39) CTNNB1TCF7L2ELANECTRB1APP
SCHEMBL27464341 0.91 CTNNB1 (0.37) CTNNB1TCF7L2ELANECTRB1APP
SCHEMBL6651230 0.85 APP (0.47) APPPOLBMEN1KMT2ALMNA
SCHEMBL7654278 0.83 MEN1 (0.42) CTNNB1TCF7L2APPPOLBMEN1
SCHEMBL27464342 0.79 SMN1; SMN2 (0.41) CTNNB1TCF7L2APPPOLBMCHR1
SCHEMBL6653990 0.78 LMNA (0.45) LMNAMAPTRXFP1GAA
SCHEMBL6655631 0.78 APP (0.44) APPPOLBKMT2ALMNATP53
SCHEMBL6653650 0.77 KMT2A (0.54) APPPOLBMEN1KMT2A
SCHEMBL7553839 0.76 APP (0.49) APPPOLBKMT2ALMNATP53
SCHEMBL6650935 0.74 ACHE (0.42) ELANECTRB1TP53

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