SCHEMBL20267338

SCHEMBL20267338

O=C1NC(=O)c2c1cccc2N1CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.55
▸ GSK3A P49840 1/20 0.52
▸ SRD5A1 P18405 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BRCA1 P38398 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL528528 0.75 CES1 (0.39) GSK3BGSK3ABRCA1ALDH1A1MAPT
SCHEMBL8938744 0.72 GSK3B (0.45) GSK3BGSK3ATSHRALDH1A1MAPT
SCHEMBL10623745 0.72 GSK3B (0.45) GSK3BGSK3AALDH1A1MAPTMEN1
SCHEMBL28522247 0.72 MAPT (0.57) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL454828 0.71 POLB (0.51) GSK3BALDH1A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL15282882 0.71 MAPT (0.55) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL28557252 0.70 SRD5A1 (0.49) GSK3BGSK3ASRD5A1ALOX15TSHR
SCHEMBL17622326 0.70 TSHR (0.55) GSK3BGSK3ASRD5A1ALOX15TSHR
SCHEMBL30999985 0.70 GSK3B (0.81) GSK3BGSK3ASRD5A1ALOX15TSHR
SCHEMBL30999951 0.69 GSK3B (1.00) GSK3BGSK3ASRD5A1ALOX15TSHR

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-2018108627-A1 USE OF SUBSTITUTED INDOLINYLMETHYL SULFONAMIDES, OR THE SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-21 — — WO disclosed
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