SCHEMBL30765211

SCHEMBL30765211

OCc1cc(Br)cc(F)c1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
USP28 Q96RU2 1/20 0.44
USP25 Q9UHP3 1/20 0.44
HTT P42858 1/20 0.43
MAOB P27338 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MAOA P21397 1/20 0.42
CCR5 P51681 2/20 0.41
PTGER1 P34995 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RHEB Q15382 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
SCHEMBL23112086 1.00 KDM1A (0.46) KDM1AGAAMAPTHPGDUSP28
SCHEMBL1017228 0.86 KDM1A (0.54) KDM1AGAAMAPTHPGDMAOB
SCHEMBL24057021 0.82 HPGD (0.49) KDM1AGAAMAPTHPGDMAOB
SCHEMBL15729561 0.81 MAPT (0.57) KDM1AGAAMAPTHPGDMAOB
SCHEMBL5823983 0.80 USP28 (0.48) KDM1AGAAMAPTHPGDUSP28
SCHEMBL23111969 0.80 MEN1 (0.54) HPGDPTGER1LMNA
SCHEMBL21602390 0.80 GAA (0.50) GAAMAPTUSP28USP25HTT
SCHEMBL31056430 0.79 GAA (0.43) GAAMAPTHPGDUSP28USP25
SCHEMBL25366114 0.79 KDM1A (0.47) KDM1AHPGDMAOBTHRATHRB
SCHEMBL26927452 0.79 KDM1A (0.51) KDM1AGAAMAPTHPGDMAOB

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
CN-112424181-B Substituted condensed thiophenes as STING modulators 希泰克斯特私人有限公司 2024-02-27 CN disclosed