SCHEMBL11116736

SCHEMBL11116736

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
FAAH O00519 1/20 0.31
APAF1 O14727 1/20 0.30
TDP2 O95551 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
BLM P54132 1/20 0.30
CASP6 P55212 1/20 0.30
ATM Q13315 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 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
SCHEMBL11118646 0.87 MEN1 (0.37) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11116898 0.85 SMARCA2 (0.39) MEN1KMT2ASMARCA2SMARCA4APAF1
SCHEMBL11398446 0.81 MEN1 (0.43) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11116874 0.81 FAAH (0.41) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11118756 0.80 SMARCA2 (0.33) MEN1KMT2ASMARCA2SMARCA4APAF1
SCHEMBL11133024 0.78 ABCC1 (0.41) RAB9ASMARCA2SMARCA4ALDH1A1POLB
SCHEMBL11122319 0.78 HDAC3 (0.40) SMARCA2SMARCA4ALDH1A1MAPT
SCHEMBL11117863 0.77 MEN1 (0.40) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL11120393 0.77 MEN1 (0.40) MEN1KMT2ATDP1PKMRAB9A
SCHEMBL14445029 0.77 GAA (0.42) MEN1KMT2APKMRAB9ASMARCA2

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