SCHEMBL11117863

SCHEMBL11117863

CON(C)C(=O)Nc1cc(C(C)(C)C)ns1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
RPS6KA2 Q15349 1/20 0.36
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
ALDH1A1 P00352 1/20 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
Hydrochloric Acid SCHEMBL11121605 0.99 MEN1 (0.39) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11116703 0.87 MEN1 (0.37) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11119842 0.85 SMARCA2 (0.39) MEN1KMT2ATDP1RPS6KA2SMARCA2
SCHEMBL11398446 0.81 MEN1 (0.43) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11117030 0.80 RPS6KA2 (0.36) RAB9ARPS6KA2SMARCA2SMARCA4ALDH1A1
SCHEMBL11116634 0.80 RPS6KA2 (0.36) MEN1KMT2ARPS6KA2SMARCA2SMARCA4
SCHEMBL11119728 0.78 ABCC1 (0.38) RAB9ARPS6KA2SMARCA2SMARCA4ALDH1A1
SCHEMBL11120393 0.77 MEN1 (0.40) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11116736 0.77 MEN1 (0.40) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL9893042 0.77 GAA (0.42) MEN1KMT2ATDP1PKMRAB9A

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