SCHEMBL30620153

SCHEMBL30620153

O=C(O)CCc1ncc[nH]1.O=C(O)CCc1ncc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.74
TERT O14746 1/20 0.46
CHRM1 P11229 1/20 0.45
TAAR1 Q96RJ0 4/20 0.44
FDPS P14324 1/20 0.43
ALOX15 P16050 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APEX1 P27695 1/20 0.41
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
FPR2 P25090 1/20 0.39
HTR1A P08908 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL434767 1.00 TBXAS1 (0.74) TBXAS1TERTCHRM1TAAR1FDPS
Hydrochloric Acid SCHEMBL28313785 0.98 TBXAS1 (0.72) TBXAS1TERTCHRM1TAAR1FDPS
Hydrochloric Acid SCHEMBL11095352 0.98 TBXAS1 (0.75) TBXAS1TERTCHRM1TAAR1FDPS
Hydrochloric Acid SCHEMBL8937731 0.98 TBXAS1 (0.75) TBXAS1TERTCHRM1TAAR1FDPS
Bromide SCHEMBL28875643 0.98 TBXAS1 (0.72) TBXAS1TERTCHRM1TAAR1FDPS
Sulfuric Acid SCHEMBL28313783 0.93 TBXAS1 (0.66) TBXAS1TERTCHRM1TAAR1FDPS
SCHEMBL8979265 0.89 TBXAS1 (0.87) TBXAS1TERTTAAR1FDPSALOX15
Hydrochloric Acid SCHEMBL11657876 0.87 TBXAS1 (0.87) TBXAS1TERTTAAR1FDPSALOX15
SCHEMBL4655987 0.87 TBXAS1 (0.97) TBXAS1TERTTAAR1FDPS
SCHEMBL7051672 0.85 TBXAS1 (1.00) TBXAS1TERT

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-114569633-B Intestinal selective chelators for the treatment and prevention of autism and related disorders 轴向治疗公司 2023-11-17 CN disclosed