SCHEMBL9360746

SCHEMBL9360746

CCOCCNc1ccc(C)cc1CSc1ncc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.34
VCP P55072 4/20 0.34
HTT P42858 1/20 0.32
HDAC1 Q13547 1/20 0.32
HTR1A P08908 4/20 0.32
ADRA1D P25100 4/20 0.32
ADRA1A P35348 4/20 0.32
ADRA1B P35368 4/20 0.32
F2 P00734 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9365685 0.89 ADRA1D (0.35) UTS2RHTTHDAC1HTR1AADRA1D
SCHEMBL9365717 0.85 HDAC1 (0.40) UTS2RVCPHDAC1ADRA1ATP53
SCHEMBL9013449 0.77 UTS2R (0.33) UTS2RVCPHTR1AADRA1DADRA1A
SCHEMBL9362106 0.74 HDAC1 (0.43) UTS2RHDAC1CYP1A2CYP2D6CYP2C9
SCHEMBL9361359 0.72 HDAC1 (0.40) UTS2RHTTHDAC1GAATP53
SCHEMBL9360834 0.72 CYP1A2 (0.40) UTS2RHTR1APDE3BPDE3ACYP1A2
SCHEMBL9012295 0.70 TXN (0.35) HTTHDAC1GAACYP1A2CYP2E1
SCHEMBL9329023 0.70 VCP (0.32) UTS2RVCPHTR1AADRA1DADRA1A
SCHEMBL9361383 0.70 HDAC1 (0.42) UTS2RHTTHDAC1PDE3A
SCHEMBL9011939 0.69 HDAC1 (0.45) HDAC1HTR1AADRA1DADRA1AADRA1B

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-0412529-B1 Imidazole derivatives, process for the preparation of the same and antiulcer agents containing the same NIPPON CHEMIPHAR CO (JP) 1994-03-09 EP disclosed
US-5091403-A SULFINYL IMIDAZOLE DERIVATIVES AND ANTIULCER AGENTS CONTAINING THE SAME NIPPON CHEMIPHAR CO., LTD. (JP) 1992-02-25 US disclosed
EP-0412529-A1 Imidazole derivatives, process for the preparation of the same and antiulcer agents containing the same NIPPON CHEMIPHAR CO., LTD. (JP) 1991-02-13 EP disclosed