SCHEMBL11116697

SCHEMBL11116697

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
MIF P14174 1/20 0.48
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 2/20 0.40
FAAH O00519 6/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 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
SCHEMBL11123083 0.89 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBMIF
SCHEMBL11118318 0.87 CCNE1 (0.51) ALDH1A1MEN1KMT2APOLBMIF
SCHEMBL11119518 0.81 CCNE1 (0.47) ALDH1A1MEN1KMT2APOLBMIF
SCHEMBL11120354 0.81 RAB9A (0.52) ALDH1A1MEN1KMT2APOLBMIF
SCHEMBL11120996 0.79 RAB9A (0.47) ALDH1A1MEN1KMT2APOLBMIF
SCHEMBL8304223 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBMIF
SCHEMBL11120441 0.77 RAB9A (0.45) ALDH1A1MEN1KMT2APOLBMIF
SCHEMBL23966930 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBMIF
SCHEMBL11120485 0.77 FAAH (0.48) ALDH1A1MEN1KMT2APOLBMIF
SCHEMBL11118326 0.76 RAB9A (0.44) ALDH1A1MEN1KMT2APOLBMIF

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