SCHEMBL11118326

SCHEMBL11118326

CCC(C)(CC)c1cc(NC(=O)Oc2ccccc2)sn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 7/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 1/20 0.43
MIF P14174 1/20 0.43
CYP1A2 P05177 1/20 0.40
FAAH O00519 6/20 0.39
THRB P10828 2/20 0.39
GAA P10253 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11124428 0.87 ALDH1A1 (0.47) RAB9AALDH1A1MAPTNPC1PKM
SCHEMBL23240110 0.82 SMARCA2 (0.50) RAB9AALDH1A1MAPTNPC1MEN1
SCHEMBL11120354 0.81 RAB9A (0.52) RAB9AALDH1A1MAPTNPC1PKM
SCHEMBL11120996 0.79 RAB9A (0.47) RAB9AALDH1A1MAPTNPC1PKM
SCHEMBL8304223 0.78 ALDH1A1 (0.53) RAB9AALDH1A1MAPTNPC1PKM
SCHEMBL11120485 0.77 FAAH (0.48) RAB9AALDH1A1MAPTNPC1PKM
SCHEMBL11123083 0.77 ALDH1A1 (0.55) RAB9AALDH1A1MAPTNPC1PKM
SCHEMBL11119518 0.76 CCNE1 (0.47) RAB9AALDH1A1MAPTNPC1PKM
SCHEMBL11116697 0.76 ALDH1A1 (0.48) RAB9AALDH1A1MAPTNPC1PKM
SCHEMBL11120441 0.74 RAB9A (0.45) RAB9AALDH1A1MAPTNPC1PKM

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