SCHEMBL9853323

SCHEMBL9853323

NCCON=CCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GBA1 P04062 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
HTR1B P28222 1/20 0.33
CYP1A2 P05177 4/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL9853320 0.90 HTR1B (0.36) ALDH1A1HPGDHSD17B10HTR1BCYP1A2
SCHEMBL9853313 0.81 GBA1 (0.42) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL10436376 0.81 MEN1 (0.38) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL9816053 0.74 GBA1 (0.46) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL9853348 0.72 GBA1 (0.35) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL10436366 0.72 CNR1 (0.34) TSHRTDP1L3MBTL1GBA1UGCG
SCHEMBL3718110 0.71 KMT2A (0.57) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL31414080 0.71 KMT2A (0.57) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL29714773 0.70 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL497038 0.70 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EPOLB

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-0417535-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-03-20 EP claimed
EP-0417535-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-03-20 EP disclosed