SCHEMBL11117030

SCHEMBL11117030

CCN(C)C(=O)Nc1cc(C(C)(C)C)ns1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.36
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPK14 Q16539 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 3/20 0.30

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
SCHEMBL11118931 0.89 SMARCA2 (0.32) SMARCA2SMARCA4
SCHEMBL11119728 0.87 ABCC1 (0.38) RPS6KA2SMARCA2SMARCA4HPGDTSHR
SCHEMBL11119037 0.87 RPS6KA2 (0.36) RPS6KA2SMARCA2SMARCA4HPGDRAB9A
SCHEMBL11119842 0.85 SMARCA2 (0.39) RPS6KA2SMARCA2SMARCA4TSHR
SCHEMBL11122189 0.82 NTRK1 (0.35) RPS6KA2SMARCA2SMARCA4TSHRALDH1A1
SCHEMBL11119034 0.81 NPY5R (0.41) RPS6KA2SMARCA2SMARCA4ALDH1A1
SCHEMBL11117863 0.80 MEN1 (0.40) RPS6KA2SMARCA2SMARCA4RAB9AALDH1A1
SCHEMBL11116634 0.80 RPS6KA2 (0.36) RPS6KA2SMARCA2SMARCA4ALDH1A1
SCHEMBL9893167 0.79 SMN1; SMN2 (0.43) RPS6KA2SMARCA2SMARCA4MAPK14HPGD
Hydrochloric Acid SCHEMBL11121605 0.79 MEN1 (0.39) RPS6KA2SMARCA2SMARCA4RAB9A

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