SCHEMBL31253333

SCHEMBL31253333

NC(=S)c1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 3/20 0.45
CYP3A4 P08684 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ALDH1A1 P00352 7/20 0.45
HSD17B10 Q99714 7/20 0.45
CFTR P13569 1/20 0.45
TSHR P16473 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.37
MMP2 P08253 1/20 0.37
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
IKBKB O14920 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 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
SCHEMBL165079 1.00 MAPT (0.46) MAPTGAAALOX15CYP3A4SMN1; SMN2
SCHEMBL609919 0.83 ALDH1A1 (0.42) MAPTGAAALOX15ALDH1A1HSD17B10
SCHEMBL30085683 0.80 CD44 (0.41) MAPTGAAALOX15CYP3A4SMN1; SMN2
SCHEMBL975567 0.79 MAPT (0.52) MAPTGAAALOX15CYP3A4SMN1; SMN2
SCHEMBL8497588 0.78 ALOX15 (0.50) MAPTGAAALOX15CYP3A4SMN1; SMN2
SCHEMBL9628769 0.77 MAPT (0.45) MAPTGAAALOX15CYP3A4SMN1; SMN2
SCHEMBL5830365 0.77 ALDH1A1 (0.48) MAPTGAAALOX15CYP3A4SMN1; SMN2
SCHEMBL13964794 0.76 BCAT2 (0.43) MAPTGAAALDH1A1HSD17B10TSHR
SCHEMBL6793986 0.75 JAK2 (0.40) MAPTGAACYP3A4ALDH1A1HSD17B10
SCHEMBL2494996 0.75 ALOX15 (0.53) MAPTGAAALOX15CYP3A4SMN1; SMN2

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-2024245356-A1 M-AMIDOBENZOIC ACID BISAMIDE COMPOUND AND INTERMEDIATE THEREOF 湖南化工研究院有限公司 2024-12-05 WO disclosed