SCHEMBL29316391

SCHEMBL29316391

c1c[nH]c(-c2ccc3c(c2)NCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
S1PR1 P21453 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTPN1 P18031 2/20 0.34
CHEK1 O14757 1/20 0.34
PARP10 Q53GL7 3/20 0.33
PARP11 Q9NR21 2/20 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
SCHEMBL4718616 0.75 KDM4E (0.63) SMN1; SMN2GFERKDM4EMEN1NPC1
SCHEMBL10924778 0.73 PARP10 (0.60) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL6843730 0.71 AHR (0.54) MEN1KMT2A
SCHEMBL2685244 0.70 PDE3B (0.47) SMN1; SMN2GFERKDM4EMEN1NPC1
SCHEMBL537786 0.70 HDAC1 (0.38) HDAC1HDAC6PTPN1CHEK1AURKA
SCHEMBL10923794 0.69 PARP10 (0.41) SMN1; SMN2GFERKDM4EMEN1NPC1
SCHEMBL8303274 0.69 S1PR1 (0.43) SMN1; SMN2GFERNPC1DRD2DRD4
SCHEMBL6188859 0.69 CYP11B1 (0.59) ALDH1A1
SCHEMBL29316500 0.69 TDP2 (0.47) SMN1; SMN2GFERDRD2DRD4S1PR1
SCHEMBL28119371 0.69 PARP1 (0.43) SMN1; SMN2KDM4EMEN1NPC1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400558-A1 PHOTON UPCONVERSION COMPOSITION, FILM, MYOPIA-SUPPRESSING TRANSPARENT PRODUCT, AND METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT Kyushu University, National University Corporation (JP) 2024-07-17 EP disclosed