SCHEMBL8791044

SCHEMBL8791044

COC(=O)c1sc(C)nc1-c1ccc(CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
DHODH Q02127 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
NTRK1 P04629 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
SCHEMBL1398686 0.84 GAA (0.50) ALDH1A1HPGDTRPM8GAAMAPT
SCHEMBL203775 0.83 ALDH1A1 (0.60) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL6492363 0.82 PTGDR2 (0.55) ALDH1A1HPGDTRPM8GAADHODH
SCHEMBL4719920 0.82 ALDH1A1 (0.52) ALDH1A1HPGDTRPM8HSD17B10GAA
SCHEMBL276196 0.81 NTRK1 (0.57) RORCALDH1A1HPGDTRPM8HSD17B10
SCHEMBL19626518 0.76 KDM4E (0.53) MEN1KMT2ADHODHMAPTKDM4E
SCHEMBL201447 0.76 PTGS2 (0.47) ALDH1A1MEN1KMT2AGAADHODH
SCHEMBL4786383 0.74 DHODH (0.62) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL1968834 0.73 TRPM8 (0.60) ALDH1A1HPGDTRPM8HSD17B10MEN1
SCHEMBL7050439 0.71 ALDH1A1 (0.51) ALDH1A1HPGDMEN1KMT2AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652869-B1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY LUSO FARMACO INST (IT) 1997-03-26 EP disclosed
EP-0652869-A1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY. LUSO FARMACO INST (IT) 1995-05-17 EP disclosed
WO-1994002467-A1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY INSTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-02-03 WO disclosed