SCHEMBL20219406

SCHEMBL20219406

C=Cc1ncc(OCCCc2ccc(C)cc2Cl)c(NCCCC)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ STK17A Q9UEE5 4/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ STK17B O94768 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ UTS2R Q9UKP6 1/20 0.32

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
SCHEMBL20219408 0.85 TLR8 (0.42) L3MBTL1TLR8TLR7
SCHEMBL23472437 0.80 KMT2A (0.37) MAPTALDH1A1ATMHPGDSTK17A
SCHEMBL23472263 0.79 S1PR4 (0.47) S1PR4MAPTALDH1A1NPSR1L3MBTL1
SCHEMBL20219444 0.78 TLR7 (0.42) STK17ATLR8TLR7STK17BLMNA
SCHEMBL23472423 0.77 MEN1 (0.45) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL15470068 0.76 L3MBTL1 (0.45) S1PR4MAPTALDH1A1L3MBTL1RAB9A
SCHEMBL23472434 0.74 CYP2D6 (0.40) MAPTALDH1A1RAB9ATLR8TLR7
SCHEMBL23472461 0.73 TLR8 (0.43) L3MBTL1TLR8TLR7
SCHEMBL20219702 0.72 ALDH1A1 (0.35) ALDH1A1L3MBTL1TLR8TLR7MEN1
SCHEMBL20219322 0.72 CYP1A2 (0.42) ALDH1A1RAB9ASTK17ATLR8TLR7

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
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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