SCHEMBL28282616

SCHEMBL28282616

NC(c1cc[c]cc1)n1ccc(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 3/20 0.42
▸ DDB1 Q16531 1/20 0.35
▸ PKM P14618 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ DUT P33316 4/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL5796877 0.83 CRBN (0.49) CRBNDDB1POLBHSD17B10DUT
SCHEMBL2990979 0.72 CRBN (0.50) CRBNDDB1PKMPOLBHSD17B10
SCHEMBL3911586 0.68 CRBN (0.66) CRBNDDB1PKMDUTALDH1A1
SCHEMBL27480972 0.68 CRBN (0.46) CRBNDDB1PKMPOLBHSD17B10
SCHEMBL5290093 0.68 CRBN (0.46) CRBNDDB1PKMPOLBHSD17B10
SCHEMBL264019 0.68 CRBN (0.46) CRBNDDB1PKMPOLBHSD17B10
SCHEMBL10642564 0.67 CRBN (0.48) CRBNDDB1PKMPOLBHSD17B10
SCHEMBL2719765 0.67 CRBN (0.54) CRBNDDB1PKMPOLBHSD17B10
SCHEMBL17243686 0.66 GAA (0.54) CRBNDDB1POLBHSD17B10DUT
SCHEMBL3235862 0.65 CRBN (0.50) CRBNDDB1PKMPOLBHSD17B10

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-106065009-B Application as the compound of hepatitis c inhibitor and its in drug 广东东阳光药业有限公司 2019-03-01 — — CN disclosed
Send feedback