SCHEMBL8445979

SCHEMBL8445979

CCOC(=O)c1ccc(C(C)(C)NCCCn2ccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TBXAS1 P24557 2/20 0.63
GAA P10253 2/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP19A1 P11511 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL8949449 0.81 ALDH1A1 (0.56) ALDH1A1GAAMAPTKDM4ESMN1; SMN2
SCHEMBL8648272 0.81 GAA (0.54) ALDH1A1TBXAS1GAAMAPTTSHR
Hydrochloric Acid SCHEMBL8949432 0.81 ALDH1A1 (0.55) ALDH1A1GAAMAPTTSHRKDM4E
SCHEMBL7879569 0.81 QPCT (0.49) ALDH1A1MAPTTSHRSMN1; SMN2NPC1
SCHEMBL8447070 0.80 TBXAS1 (0.55) ALDH1A1TBXAS1GAAMAPTTSHR
SCHEMBL8444586 0.79 ALDH1A1 (0.64) ALDH1A1TBXAS1GAAMAPTTSHR
SCHEMBL8949297 0.78 SMN1; SMN2 (0.52) ALDH1A1GAAMAPTTSHRHTT
SCHEMBL7879609 0.78 GAA (0.53) ALDH1A1GAAMAPTTSHRHTT
SCHEMBL8443962 0.78 LMNA (0.56) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL7875046 0.78 LMNA (0.57) ALDH1A1TBXAS1GAAMAPTTSHR

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