SCHEMBL8445700

SCHEMBL8445700

CC(C)(NC(=O)CCn1ccnc1)c1ccccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.45
TBXAS1 P24557 3/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.42
AHR P35869 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8445965 0.81 CYP26A1 (0.47) EGLN3TBXAS1ALDH1A1
SCHEMBL8949477 0.76 ALDH1A1 (0.44) EGLN3TBXAS1ALDH1A1
SCHEMBL8949380 0.76 ALDH1A1 (0.46) EGLN3TBXAS1ALDH1A1KDM4E
SCHEMBL8444481 0.75 SMN1; SMN2 (0.50) EGLN3KDM4E
SCHEMBL8443495 0.75 CYP11B1 (0.49) EGLN3TBXAS1ALDH1A1
SCHEMBL7873815 0.75 HMOX1 (0.56) TBXAS1KDM4E
SCHEMBL7313601 0.72 ALDH1A1 (0.67) EGLN3TBXAS1ALDH1A1KDM4E
SCHEMBL7877364 0.71 ALDH1A1 (0.46) EGLN3TBXAS1ALDH1A1KDM4ENPSR1
SCHEMBL15190312 0.70 HPGD (0.69) EGLN3
SCHEMBL10651065 0.70 CYP19A1 (0.57) EGLN3TBXAS1

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