SCHEMBL7005090

SCHEMBL7005090

CC1(C)COC(c2ccccc2-c2ccc(COS(=O)(=O)c3ccccc3)cc2)=N1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 2/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 2/20 0.33
IL2 P60568 1/20 0.33
PTGS1 P23219 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32

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
SCHEMBL7011088 0.93 CYP2D6 (0.36) HRH3CYP2D6HTTATMKDM4E
SCHEMBL9091097 0.91 HRH3 (0.46) HRH3CYP2D6HTTATMKDM4E
SCHEMBL7011157 0.89 AKT1 (0.40) HRH3CYP2D6HTTATMKDM4E
SCHEMBL7008171 0.88 HRH3 (0.38) HRH3CYP2D6HTTATMKDM4E
SCHEMBL8971834 0.87 HRH3 (0.35) HRH3CYP2D6HTTATMKDM4E
SCHEMBL8876871 0.84 HRH3 (0.36) HRH3CYP2D6HTTATMKDM4E
SCHEMBL7009195 0.83 HRH3 (0.42) HRH3CYP2D6HTTATMKDM4E
SCHEMBL8874752 0.82 HRH3 (0.35) HRH3CYP2D6HTTATMKDM4E
SCHEMBL7004285 0.81 HRH3 (0.42) HRH3CYP2D6HTTATMKDM4E
Hydrochloric Acid SCHEMBL9308089 0.81 HRH3 (0.42) HRH3CYP2D6HTTATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627433-B1 PROCESS FOR PRODUCING IMIDAZOPYRIDINE DERIVATIVE AND INTERMEDIATE EISAI CO LTD (JP) 2003-03-05 EP disclosed
US-5700938-A Intermediates for imidazopyridine derivatives EISAI CO., LTD. (JP) 1997-12-23 US disclosed
US-5618969-A Intermediates for imidazopyridines EISAI CO., LTD. (JP) 1997-04-08 US disclosed
US-5608068-A Process for the preparation of imidazopyridine derivatives and intermediates EISAI CO., LTD. (JP) 1997-03-04 US disclosed
US-5587504-A Sulfonyloxy-biphenylcarboxylic ester derivatives which are intermediates EISAI CO., LTD. (JP) 1996-12-24 US disclosed
US-5583229-A Process for the preparation of imidazopyridine derivatives EISAI CO., LTD. (JP) 1996-12-10 US disclosed
US-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed
US-5557002-A Process for the preparation of biphenyl containing intermediates useful in making angiotensin II receptor antagonists EISAI CO., LTD. (JP) 1996-09-17 US disclosed
US-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US disclosed
EP-0627433-A1 PROCESS FOR PRODUCING IMIDAZOPYRIDINE DERIVATIVE AND INTERMEDIATE Eisai Co., Ltd. (JP) 1994-12-07 EP disclosed