SCHEMBL8617032

SCHEMBL8617032

[Hf]C1C(c2cc(-c3ccccc3)cc3ccccc23)=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
MPI P34949 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 2/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
PTGER4 P35408 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL8620251 0.77 PSMB5 (0.34) ALDH1A1MAPTSMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL7937375 0.73 CYP19A1 (0.31) ALDH1A1
SCHEMBL17442214 0.73 ALDH1A1 (0.55) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL29529097 0.73 ALDH1A1 (0.55) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL21879691 0.71 MEN1 (0.64) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL29805474 0.71 ALDH1A1 (0.53) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL8617499 0.69 MEN1 (0.45) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL25508974 0.67 MEN1 (0.46) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL20334189 0.67 MEN1 (0.48) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL28404785 0.66 MEN1 (0.53) KDM4EALDH1A1MAPTHPGDMEN1

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-0837865-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OF AN ANSA-METALLOCENE COMPLEX INTO THE CHIRAL RACEMIC FORM BASF AKTIENGESELLSCHAFT (DE) 1998-04-29 EP disclosed
WO-1997003080-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OF AN ANSA-METALLOCENE COMPLEX INTO THE CHIRAL RACEMIC FORM BASF AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed