SCHEMBL22563971

SCHEMBL22563971

COC(=O)c1cccc(OC)c1COc1ccn(S)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
VDR P11473 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HSP90AA1 P07900 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL22564280 0.91 HCRTR1 (0.37) MAPTGAAHSD17B10ALDH1A1HTT
SCHEMBL22564215 0.90 MAPT (0.41) MAPTTSHRHTTNPSR1KDM4E
SCHEMBL22564211 0.90 ALDH1A1 (0.36) MAPTGAATSHRMAPK1HSD17B10
SCHEMBL22563853 0.89 HTT (0.39) HSD17B10VDRALDH1A1HTTNPSR1
SCHEMBL22564049 0.89 SMN1; SMN2 (0.36) MAPTALDH1A1HTTNPSR1KDM4E
SCHEMBL22564309 0.89 NPC1 (0.37) SMN1; SMN2LMNANPC1RAB9ACTSD
SCHEMBL22564542 0.89 NPC1 (0.37) MAPTGAAHTTSMN1; SMN2LMNA
SCHEMBL22564338 0.88 CTSD (0.35) MAPTHTTNPSR1SMN1; SMN2LMNA
SCHEMBL22564534 0.88 LMNA (0.39) MAPTHTTSMN1; SMN2LMNAKMT2A
SCHEMBL22564307 0.88 NPC1 (0.36) MAPTHTTSMN1; SMN2LMNANPC1

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-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed