SCHEMBL29951801

SCHEMBL29951801

COc1ccc(C=O)cc1C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.65
TSHR P16473 1/20 0.65
AOX1 Q06278 1/20 0.59
HPGD P15428 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
TRIM24 O15164 1/20 0.54
ALDH5A1 P51649 1/20 0.54
ABAT P80404 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
FDPS P14324 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TTR P02766 1/20 0.47
CYP2C9 P11712 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL6171075 1.00 ALDH1A1 (0.65) ALDH1A1TSHRAOX1HPGDTDP1
SCHEMBL15652453 0.86 ALDH1A1 (0.65) ALDH1A1TSHRAOX1HPGDTDP1
SCHEMBL12505513 0.85 TRPA1 (0.53) ALDH1A1TSHRHPGDTDP1SMN1; SMN2
SCHEMBL30362132 0.84 ALDH1A1 (0.61) ALDH1A1TSHRAOX1HPGDTDP1
SCHEMBL1505421 0.84 ALDH1A1 (0.61) ALDH1A1TSHRAOX1HPGDTDP1
SCHEMBL29956561 0.84 ALDH1A1 (0.61) ALDH1A1TSHRAOX1HPGDTDP1
SCHEMBL2934800 0.84 ALDH1A1 (0.61) ALDH1A1TSHRAOX1HPGDTDP1
Potassium Ion SCHEMBL10415023 0.83 ALDH1A1 (0.59) ALDH1A1TSHRAOX1HPGDTDP1
SCHEMBL10415024 0.83 ALDH1A1 (0.59) ALDH1A1TSHRAOX1HPGDTDP1
SCHEMBL27461787 0.82 ALDH1A1 (0.46) ALDH1A1TSHRAOX1HPGDTDP1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed