SCHEMBL26665741

SCHEMBL26665741

O=C(O)CCC(S)S.[NaH].[NaH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.59
ANPEP P15144 4/20 0.48
ENPEP Q07075 4/20 0.48
TET2 Q6N021 3/20 0.48
KDM4A O75164 2/20 0.48
KDM4C Q9H3R0 2/20 0.48
KDM2A Q9Y2K7 2/20 0.48
TET3 O43151 1/20 0.48
CYP1A2 P05177 2/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46

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
SCHEMBL928933 0.97
SCHEMBL10489478 0.80
Pyridine SCHEMBL28715293 0.79 FOLH1 (0.45) FOLH1ANPEPENPEPTET2KDM4A
SCHEMBL27961576 0.79 FOLH1 (0.62) FOLH1ANPEPENPEPTET2KDM4A
SCHEMBL19182605 0.77 FOLH1 (0.59) FOLH1ANPEPENPEPTET2KDM4A
SCHEMBL2722834 0.76 TSHR (0.60) FOLH1ENPEPLMNANFKB1
SCHEMBL8814639 0.76 TSHR (0.60) FOLH1ENPEPLMNANFKB1
SCHEMBL9685403 0.76
SCHEMBL3839670 0.76 TSHR (0.60) FOLH1ENPEPLMNANFKB1
SCHEMBL380054 0.76 TSHR (0.60) FOLH1ENPEPLMNANFKB1

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
WO-2023216238-A1 COMPOSITION AND USE THEREOF, AND MATERIALS COMPRISING SAME 李平 2023-11-16 WO claimed