SCHEMBL29138002

SCHEMBL29138002

COC(=O)C1N=Cc2ccccc2N1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
EGFR P00533 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
BACE1 P56817 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
CYP2D6 P10635 1/20 0.33
TRPA1 O75762 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL28671894 0.84 RECQL (0.36) ALDH1A1MAPTRAB9ANPC1NPSR1
SCHEMBL379859 0.80 MAPT (0.39) ALDH1A1EGFRSMN1; SMN2MAPTRAB9A
SCHEMBL943810 0.79 EGFR (0.32) EGFRMAPTCYP2D6
SCHEMBL3250625 0.70 MAPT (0.40) ALDH1A1EGFRPOLBSMN1; SMN2BACE1
SCHEMBL27988772 0.69 GAA (0.33) MAPT
SCHEMBL7603455 0.67 EGFR (0.42) ALDH1A1EGFRSMN1; SMN2MAPTRAB9A
SCHEMBL17338036 0.66 L3MBTL1 (0.35) ALDH1A1NPC1HSD17B10
SCHEMBL28056863 0.66 TRPA1 (0.42) POLBCYP2D6TRPA1HSD17B10
SCHEMBL1420618 0.65 NOS2 (0.33) MAPT
SCHEMBL5903655 0.65 GAA (0.33) MAPT

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-115322157-B Letermopevir intermediate compound, preparation method and application thereof 浙江车头制药股份有限公司 2023-12-05 CN disclosed