SCHEMBL28197878

SCHEMBL28197878

Oc1ccccc1-c1nc2ccc3ccccc3c2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ILK Q13418 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40
APP P05067 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
SNCA P37840 1/20 0.38

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
SCHEMBL28455059 0.79 GUSB (0.43) HTR2BMAPTKDM4ERAB9ANPC1
SCHEMBL24476713 0.77 MAPT (0.46) MAPTKDM4ERAB9ANPC1HPGD
SCHEMBL28448514 0.77 MAPT (0.47) HTR2BMAPTKDM4ERAB9ANPC1
SCHEMBL28898605 0.76 HTR2B (0.40) HTR2BMAPTKDM4ERAB9ANPC1
SCHEMBL4337306 0.75 APP (0.44) HTR2BMAPTKDM4ERAB9ANPC1
SCHEMBL21089325 0.75 CYP1A2 (0.41) HTR2BMAPTKDM4ERAB9ANPC1
SCHEMBL28784795 0.73 MAPT (0.56) MAPTKDM4ERAB9ANPC1NPSR1
SCHEMBL14802221 0.72 CYP1A2 (0.49) MAPTKDM4ERAB9AHPGDALDH1A1
SCHEMBL5755756 0.72 ALDH1A1 (0.43) HTR2BMAPTKDM4ERAB9ANPC1
SCHEMBL196475 0.71 KDM4E (0.73) MAPTKDM4ERAB9ANPC1NPSR1

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
CN-107573926-B Dual-luminescence organic fluorescence temperature sensing film and preparation method thereof 南京邮电大学 2020-09-01 CN disclosed
CN-107573926-A A kind of double luminous organic fluorescence temperature sensing films and preparation method 南京邮电大学 2018-01-12 CN disclosed