SCHEMBL8446828

SCHEMBL8446828

CCCOC(=O)Cc1ccc(C(C)(C)NC(=O)CCn2ccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.55
GAA P10253 1/20 0.43
CYP19A1 P11511 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.40
CYP26A1 O43174 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8447070 0.84 TBXAS1 (0.55) TBXAS1GAAKMT2AMEN1POLB
SCHEMBL8949380 0.80 ALDH1A1 (0.46) TBXAS1CYP19A1KMT2AMEN1POLB
SCHEMBL8444481 0.79 SMN1; SMN2 (0.50) SMN1; SMN2LMNA
SCHEMBL7877364 0.79 ALDH1A1 (0.46) TBXAS1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL8445965 0.77 CYP26A1 (0.47) TBXAS1CYP19A1KMT2ASMN1; SMN2HTT
SCHEMBL8447075 0.76 TBXAS1 (0.44) TBXAS1CYP19A1KMT2ASMN1; SMN2HTT
SCHEMBL7873815 0.75 HMOX1 (0.56) TBXAS1CYP19A1KMT2AMEN1POLB
SCHEMBL27782849 0.74 EGLN3 (0.56) TBXAS1GAACYP19A1
SCHEMBL8949477 0.73 ALDH1A1 (0.44) TBXAS1CYP19A1KMT2AMEN1POLB
SCHEMBL8446915 0.73 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1LMNA

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-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed