SCHEMBL31462136

SCHEMBL31462136

O=C1OC(=O)C1c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PARP1 P09874 4/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
XDH P47989 1/20 0.38
GRK6 P43250 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
SCHEMBL10681371 0.72 NOS2 (0.38) ALDH1A1MEN1KMT2AKDM4EHSD17B10
Hydrochloric Acid SCHEMBL10493329 0.71 NOS2 (0.37) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL5142779 0.71 GAA (0.55) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL7678904 0.71 HSD17B10 (0.42) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL29289987 0.71 MAOA (0.47) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL657849 0.69 POLB (0.56) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL2396347 0.67 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL2760986 0.67 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL6834834 0.66 MAPT (0.41) ALDH1A1MEN1KMT2AKDM4EHSD17B10
Hydrochloric Acid SCHEMBL11171681 0.66 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4EHSD17B10

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-119552154-A Preparation method of ticarcillin sodium side chain 3-ATMA 山西双雁药业有限公司 2025-03-04 CN disclosed