SCHEMBL8617499

SCHEMBL8617499

[CH]1C(c2cc(-c3ccccc3)cc3ccccc23)=Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MPI P34949 1/20 0.45
HTR6 P50406 2/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
CYP11B1 P15538 1/20 0.35
GPR84 Q9NQS5 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGES O14684 1/20 0.33
PTGER4 P35408 1/20 0.32
ALOX5 P09917 1/20 0.31
TACR3 P29371 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21879691 0.80 MEN1 (0.64) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL5599457 0.79 CYP1A2 (0.47) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL29529097 0.78 ALDH1A1 (0.55) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL17442214 0.78 ALDH1A1 (0.55) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL29805474 0.77 ALDH1A1 (0.53) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL8615594 0.75 KDM4E (0.33) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL5600175 0.75 METAP2 (0.35) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL6758600 0.75 CYP1A2 (0.40) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL28404785 0.75 MEN1 (0.53) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL25508974 0.73 MEN1 (0.46) MEN1KMT2AHPGDKDM4EALDH1A1

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-0837866-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1998-04-29 EP disclosed
WO-1997003081-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed