SCHEMBL8444586

SCHEMBL8444586

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TBXAS1 P24557 4/20 0.63
POLB P06746 1/20 0.52
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.49
NAMPT P43490 1/20 0.49
CYP19A1 P11511 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8445855 0.82 QPCT (0.57) TBXAS1POLBLMNACYP19A1
Oxalic Acid SCHEMBL27417090 0.79 SMN1; SMN2 (0.64) ALDH1A1TBXAS1POLBGAALMNA
SCHEMBL8445979 0.79 ALDH1A1 (0.64) ALDH1A1TBXAS1POLBGAACYP19A1
SCHEMBL8444551 0.78 CYP19A1 (0.57) ALDH1A1POLBLMNACYP19A1KDM4E
SCHEMBL8445916 0.78 QPCT (0.54) ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL8443891 0.78 HMOX1 (0.53) ALDH1A1POLBGAALMNACYP19A1
SCHEMBL8446799 0.78 SMN1; SMN2 (0.59) ALDH1A1POLBGAALMNAKDM4E
SCHEMBL10749951 0.78 TBXAS1 (1.00) ALDH1A1TBXAS1GAALMNAKDM4E
Hydrochloric Acid SCHEMBL10851015 0.78 ALDH1A1 (0.65) ALDH1A1TBXAS1POLBGAANAMPT
Hydrochloric Acid SCHEMBL8444444 0.77 QPCT (0.53) ALDH1A1POLBLMNASMN1; SMN2

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