SCHEMBL31540416

SCHEMBL31540416

N/N=C/SCc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.40
▸ MAPT P10636 7/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 4/20 0.35
▸ GAA P10253 3/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 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
SCHEMBL7771315 0.75 — —
SCHEMBL3505825 0.75 — —
SCHEMBL11035978 0.73 ALDH1A1 (0.37) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL3678577 0.71 — —
SCHEMBL891217 0.71 TSHR (0.46) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL140950 0.71 TSHR (0.59) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL17541243 0.69 TSHR (0.44) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL25435114 0.67 TSHR (0.47) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL20822068 0.67 — —
SCHEMBL2211226 0.67 — —

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-119977855-A Thiohydrazone method for synthesizing compound 山东金科力电源科技有限公司 2025-05-13 — — CN disclosed
Send feedback