SCHEMBL28812932

SCHEMBL28812932

O=C1NCC(c2cccs2)N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
PKM P14618 1/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 2/20 0.37
ALOX12 P18054 1/20 0.37
ADORA2B P29275 4/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4053132 0.76 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL14559235 0.71 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL3985924 0.70 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2199447 0.69 NOS1 (0.49) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL10041515 0.69 NOS1 (0.49) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL1823137 0.69 KDM4E (0.55) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11903026 0.68 ADORA2B (0.38) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL11902663 0.68 ADORA2B (0.38) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL12696878 0.68 DDB1 (0.40) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL8349892 0.68 POLB (0.53) ALDH1A1MEN1KMT2AKDM4EHPGD

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
CN-114746398-A Headgroup lipid compounds and compositions for intracellular delivery of therapeutic agents 摩登纳特斯有限公司 2022-07-12 CN disclosed