SCHEMBL30402433

SCHEMBL30402433

NC(=O)OC(Cn1nnc2ccccc21)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.50
▸ EGLN3 Q9H6Z9 1/20 0.50
▸ RAB9A P51151 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ MGAM O43451 2/20 0.49
▸ AMY1A P0DUB6 2/20 0.49
▸ SI P14410 2/20 0.49
▸ MGAM2 Q2M2H8 2/20 0.49
▸ MAPT P10636 5/20 0.48
▸ USP2 O75604 1/20 0.48
▸ MDM2 Q00987 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TP53 P04637 2/20 0.45
▸ HCRTR1 O43613 1/20 0.45

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
SCHEMBL21304645 0.76 APAF1 (0.75) APAF1POLBALDH1A1EGLN3RAB9A
SCHEMBL5828539 0.75 APAF1 (0.69) APAF1POLBALDH1A1EGLN3RAB9A
SCHEMBL27349798 0.75 APAF1 (0.61) APAF1POLBALDH1A1EGLN3RAB9A
SCHEMBL26698323 0.75 EGLN3 (0.56) APAF1POLBEGLN3RAB9AGAA
SCHEMBL23774830 0.74 APAF1 (0.76) APAF1POLBALDH1A1EGLN3RAB9A
SCHEMBL5828228 0.73 APAF1 (0.58) APAF1POLBALDH1A1EGLN3RAB9A
SCHEMBL4307811 0.72 ADRB1 (0.44) —
SCHEMBL9772257 0.71 APAF1 (0.59) APAF1POLBALDH1A1EGLN3RAB9A
SCHEMBL2070662 0.71 GAA (0.67) EGLN3RAB9AGAAMGAMAMY1A
SCHEMBL4311442 0.71 ADRB1 (0.39) —

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-111386118-B Combination pharmaceutical agents as RSV inhibitors 英安塔制药有限公司 2023-05-09 — — CN disclosed
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