SCHEMBL11116898

SCHEMBL11116898

CC(C)c1cc(NC(=O)N(C)C)sn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.39
SMARCA4 P51532 2/20 0.39
HTT P42858 1/20 0.37
APEX1 P27695 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL11116736 0.85 MEN1 (0.40) SMARCA2SMARCA4MEN1APAF1TDP2
SCHEMBL11118756 0.85 SMARCA2 (0.33) SMARCA2SMARCA4MEN1APAF1TDP2
SCHEMBL11133024 0.83 ABCC1 (0.41) SMARCA2SMARCA4HTTTSHRKDM4E
SCHEMBL11122319 0.83 HDAC3 (0.40) SMARCA2SMARCA4HDAC3HDAC1HDAC2
SCHEMBL14445029 0.81 GAA (0.42) SMARCA2SMARCA4TSHRKDM4EAURKA
SCHEMBL11120296 0.78 TSHR (0.36) SMARCA2SMARCA4HTTAPEX1TSHR
SCHEMBL11402099 0.78 SMARCA2 (0.50) SMARCA2SMARCA4HTTAPEX1TSHR
SCHEMBL11119842 0.74 SMARCA2 (0.39) SMARCA2SMARCA4HTTAPEX1TSHR
SCHEMBL11121478 0.74 SMARCA2 (0.34) SMARCA2SMARCA4
SCHEMBL11115792 0.74 SMARCA2 (0.34) SMARCA2SMARCA4HTTMEN1APAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129408-A2 (3-alkyl-5-isothiazolyl)ureas ELI LILLY AND COMPANY (US) 1984-12-27 EP claimed
EP-0129408-A2 (3-alkyl-5-isothiazolyl)ureas ELI LILLY AND COMPANY (US) 1984-12-27 EP disclosed