SCHEMBL7112634

SCHEMBL7112634

CC1(C)COC(c2ccccc2-c2ccccc2)=N1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.43
ATM Q13315 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.39
IL2 P60568 1/20 0.38
ALOX15 P16050 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL10835648 0.97 KDM4E (0.50) KDM4ELMNAHTTATMALDH1A1
SCHEMBL18380643 0.91 KDM4E (0.61) KDM4ELMNAHTTATMALDH1A1
SCHEMBL371 0.89 KDM4E (0.49) KDM4ELMNAHTTATMALDH1A1
SCHEMBL11491135 0.87 KDM4E (0.47) KDM4ELMNAHTTATMALDH1A1
SCHEMBL8873328 0.85 RARB (0.50) KDM4ELMNAHTTMAPTIL2
SCHEMBL342910 0.85 KDM4E (0.59) KDM4ELMNAHTTATMALDH1A1
SCHEMBL11485826 0.85 KDM4E (0.45) KDM4ELMNAHTTATMALDH1A1
SCHEMBL9256007 0.85 KDM4E (0.45) KDM4ELMNAHTTATMALDH1A1
SCHEMBL7004170 0.85 KDM4E (0.45) KDM4ELMNAHTTATMALDH1A1
SCHEMBL7934334 0.85 KDM4E (0.45) KDM4ELMNAHTTATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169289-B1 METHOD FOR PRODUCING DERIVATIVES OF BIPHENYL-2-CARBOXYLIC ACID BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-29 EP disclosed
US-6369271-B1 SAPONIFICATION WITH HYDROCHLORIC ACID, HEATING WITH PRESSURIZATION BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-09 US disclosed
EP-1169289-A1 METHOD FOR PRODUCING DERIVATIVES OF BIPHENYL-2-CARBOXYLIC ACID Boehringer Ingelheim Pharma KG (DE) 2002-01-09 EP disclosed
WO-2000051961-A1 METHOD FOR PRODUCING DERIVATIVES OF BIPHENYL-2-CARBOXYLIC ACID BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-08 WO disclosed
US-4220778-A ANTIARRHYTHMIC, ANTIMICROBIAL AND CENTRAL NERVOUS SYSTEM ACTIVITY G. D. SEARLE & CO. (US) 1980-09-02 US disclosed