SCHEMBL28197151

SCHEMBL28197151

Oc1ccccc1-c1nc2c(ccc3ccccc32)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
RAB9A P51151 5/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR2B P41595 3/20 0.42
XIAP P98170 1/20 0.42
ILK Q13418 1/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PDPK1 O15530 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL28197115 0.93 KDM4E (0.41) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL21089384 0.85 NPC1 (0.42) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL27670304 0.80 PDPK1 (0.56) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL11009126 0.80 SOS1 (0.47) MAPTRAB9AKDM4ENPC1XIAP
SCHEMBL29778657 0.79 PDPK1 (0.54) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL6230974 0.78 ALOX5 (0.46) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL28459915 0.77 GUSB (0.40) MAPTRAB9AKDM4ENPC1NPSR1
SCHEMBL24477031 0.77 KDM4E (0.44) MAPTRAB9AKDM4ENPC1XIAP
SCHEMBL29724159 0.77 KDM4E (0.44) MAPTRAB9AKDM4ENPC1XIAP
SCHEMBL28448514 0.77 MAPT (0.47) MAPTRAB9AKDM4ENPC1NPSR1

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