SCHEMBL8069320

SCHEMBL8069320

C1=CC2c3ccccc3C1c1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
HTR2A P28223 3/20 0.33
ALOX12 P18054 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
GPR3 P46089 1/20 0.33
CYP2A6 P11509 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
SCHEMBL30353880 1.00 MEN1 (0.35) MEN1KMT2AGAAHTR2AALOX12
SCHEMBL997888 0.81 MEN1 (0.39) MEN1KMT2AALOX12KDM4EALDH1A1
SCHEMBL4601117 0.74 POLB (0.33) MEN1KMT2AGAAMAOAMAOB
SCHEMBL5077476 0.74 CYP2A6 (0.39) MEN1KMT2AALOX12KDM4EALDH1A1
SCHEMBL16346114 0.69 TSHR (0.35) MEN1KMT2AGAAHTR2AALOX12
SCHEMBL545454 0.67 MEN1 (0.53) MEN1KMT2AGAAHTR2AALOX12
SCHEMBL29490140 0.67 MEN1 (0.53) MEN1KMT2AGAAHTR2AALOX12
SCHEMBL29436947 0.67 EDNRA (0.43) MEN1KMT2AGAAHTR2AALOX12
SCHEMBL2210400 0.65 MAOA (0.42) MEN1KMT2AGAAHTR2AALOX12
SCHEMBL4822373 0.65 HTR2A (0.42) MEN1KMT2AGAAHTR2AALOX12

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-1012201-A1 POLY(ARYL VINYLENE)S White Knight Technologies Limited (GB) 2000-06-28 EP disclosed
WO-1999014255-A1 POLY(ARYL VINYLENE)S WHITE KNIGHT TECHNOLOGIES LIMITED (GB) 1999-03-25 WO disclosed