SCHEMBL8876871

SCHEMBL8876871

C=CCS(=O)(=O)OCc1ccc(-c2ccccc2C2=NC(C)(C)CO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
IL2 P60568 1/20 0.32
ALOX5 P09917 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7008171 0.89 HRH3 (0.38) HRH3CYP2D6KDM4EHTTLMNA
SCHEMBL7011157 0.86 AKT1 (0.40) HRH3CYP2D6KDM4EHTTLMNA
SCHEMBL7005090 0.84 HRH3 (0.38) HRH3CYP2D6KDM4EHTTLMNA
SCHEMBL8874752 0.84 HRH3 (0.35) HRH3CYP2D6KDM4EHTTLMNA
SCHEMBL8971834 0.82 HRH3 (0.35) HRH3CYP2D6KDM4EHTTLMNA
SCHEMBL7011088 0.81 CYP2D6 (0.36) HRH3CYP2D6KDM4EHTTLMNA
SCHEMBL7009195 0.79 HRH3 (0.42) HRH3CYP2D6KDM4EHTTLMNA
Hydrochloric Acid SCHEMBL9308089 0.79 HRH3 (0.42) HRH3CYP2D6KDM4EHTTLMNA
SCHEMBL7004285 0.79 HRH3 (0.42) HRH3CYP2D6KDM4EHTTLMNA
SCHEMBL7004170 0.78 KDM4E (0.45) HRH3CYP2D6KDM4EHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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