SCHEMBL30931900

SCHEMBL30931900

CC1(c2ccc(C(=N)N)c(O)c2)OCCO1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL22530970 1.00 TSHR (0.36) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3011055 0.73 ALDH1A1 (0.42) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL4588500 0.68 ESR2 (0.41) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL9423552 0.68 APP (0.39) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL5260076 0.66 F2 (0.55) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL30755246 0.66 F2 (0.55) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL5339706 0.66 OPRD1 (0.49) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL28013376 0.66 CES2 (0.54) TSHRLMNAALDH1A1MAPTMAPK1
SCHEMBL1028623 0.65 ALDH1A1 (0.42) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3015778 0.65 ALDH1A1 (0.51) TSHRSMN1; SMN2LMNAALDH1A1MAPT

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-113784958-B Oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2024-04-30 CN disclosed