SCHEMBL23472437

SCHEMBL23472437

C=Cc1ncc(OCCCc2ccc(OC)c(OC)c2OC)c(NCCCC)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TLR7 Q9NYK1 8/20 0.36
▸ TLR8 Q9NR97 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL20219322 0.86 CYP1A2 (0.42) KMT2ALMNATLR7TLR8CYP1A2
SCHEMBL23472630 0.85 MAPT (0.39) KMT2AMAPTLMNATLR7TLR8
SCHEMBL15470097 0.85 TLR7 (0.47) TLR7TLR8CYP1A2CYP3A4CYP2D6
SCHEMBL23472423 0.84 MEN1 (0.45) KMT2AMAPTLMNAALDH1A1MEN1
SCHEMBL20219406 0.80 S1PR4 (0.35) KMT2AMAPTLMNATLR7TLR8
SCHEMBL20219444 0.79 TLR7 (0.42) LMNATLR7TLR8CYP1A2CYP3A4
SCHEMBL23472083 0.78 SLC2A1 (0.40) KMT2AMAPTLMNATLR7TLR8
SCHEMBL23472305 0.78 TLR7 (0.44) TLR7TLR8CYP1A2CYP3A4ALDH1A1
SCHEMBL20219767 0.77 TLR7 (0.44) TLR7TLR8CYP1A2CYP3A4
SCHEMBL15470064 0.77 TLR7 (0.53) TLR7TLR8CYP1A2CYP3A4CYP2D6

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
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