SCHEMBL10943403

SCHEMBL10943403

COc1cc(C)nc(NC(=O)NS(=O)(=O)Nc2ccc3ccccc3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
THRB P10828 1/20 0.41
CDK1 P06493 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NPC1 O15118 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
SCHEMBL10948960 0.93 GAA (0.52) SMN1; SMN2ALOX15GAAMEN1KMT2A
SCHEMBL10948809 0.84 NPC1 (0.43) SMN1; SMN2ALOX15MEN1KMT2ALMNA
SCHEMBL10945235 0.84 MEN1 (0.42) SMN1; SMN2ALOX15MEN1KMT2AMAPT
SCHEMBL10946516 0.83 TSHR (0.51) TSHRSMN1; SMN2ALOX15GAAMEN1
SCHEMBL10946515 0.82 TSHR (0.50) TSHRSMN1; SMN2ALOX15GAAMEN1
SCHEMBL8859540 0.81 ALOX15 (0.57) TSHRSMN1; SMN2ALOX15GAAMEN1
SCHEMBL1013413 0.80 TSHR (0.48) TSHRSMN1; SMN2ALOX15GAALMNA
SCHEMBL10944770 0.80 TSHR (0.51) TSHRSMN1; SMN2ALOX15GAALMNA
SCHEMBL10948226 0.78 MAPT (0.55) TSHRSMN1; SMN2ALOX15GAAMEN1
SCHEMBL7809237 0.78 CDK1 (0.49) TSHRSMN1; SMN2ALOX15GAAMAPT

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
US-4515620-A PRE- AND POSTEMERGENCE HERBICIDES, PLANT GROWTH REGULATORS CIBA GEIGY CORPORATION (US) 1985-05-07 US disclosed