SCHEMBL8447183

SCHEMBL8447183

CC(C)(Cn1ccnc1)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
CYP2B6 P20813 1/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
WDR5 P61964 2/20 0.45
TBXAS1 P24557 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
SCHEMBL8444499 0.78 LMNA (0.47) CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6
SCHEMBL8446102 0.77 CYP19A1 (0.54) CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6
SCHEMBL8949197 0.75 MEN1 (0.58) CYP1A2CYP2C9CYP2C19
SCHEMBL23747316 0.75 NAMPT (0.67) CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6
SCHEMBL11286288 0.74 CYP11B1 (0.61) CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6
SCHEMBL1709264 0.73 MEN1 (0.63) CYP1A2CYP2C9CYP2C19
SCHEMBL11639842 0.73 CYP19A1 (0.55) CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6
SCHEMBL20602561 0.73 CYP11B1 (0.61) CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6
SCHEMBL5076692 0.72 PKM (0.57) CYP19A1LMNACYP3A4TBXAS1
SCHEMBL10759280 0.72 ALDH1A1 (0.62) CYP2A6CYP19A1CYP11B1CYP11B2CYP2B6

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