SCHEMBL6832889

SCHEMBL6832889

CC(O)C(Oc1cncc(Br)c1)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 2/20 0.35
INPPL1 O15357 1/20 0.35
TSHR P16473 3/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16370623 0.72 MEN1 (0.56) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL16370882 0.72 CYP1A2 (0.47) ALDH1A1HPGDHSD17B10USP2MAPK1
SCHEMBL16370718 0.72 SMN1; SMN2 (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2983863 0.71 CHRNB2 (0.43) CHRNB2CHRNA4KCNH2
SCHEMBL16371130 0.71 SMN1; SMN2 (0.49) KDM4EALDH1A1HSD17B10HTTTSHR
SCHEMBL16370936 0.71 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTMEN1
SCHEMBL16371037 0.71 KMT2A (0.51) KDM4EALDH1A1HSD17B10HTTTSHR
Hydrochloric Acid SCHEMBL16371043 0.71 FKBP1A (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6832887 0.71 TSHR (0.65) KDM4EALDH1A1TSHRUSP2MAPK1
SCHEMBL16370596 0.69 SMN1; SMN2 (0.51) ALDH1A1HPGDHSD17B10HTTTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO disclosed