SCHEMBL23472263

SCHEMBL23472263

CCCCNc1nc(C)ncc1OCCCc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 3/20 0.47
▸ CRHR1 P34998 5/20 0.45
▸ TDP1 Q9NUW8 4/20 0.40
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CCR4 P51679 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.36

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
SCHEMBL15470068 0.88 L3MBTL1 (0.45) S1PR4CRHR1MAPTHTTALDH1A1
SCHEMBL20219489 0.84 TLR8 (0.44) CRHR1MAPTALDH1A1HPGDMEN1
SCHEMBL20219408 0.81 TLR8 (0.42) L3MBTL1
SCHEMBL13195680 0.81 FLT3 (0.41) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20219647 0.81 F2 (0.36) STK17A
SCHEMBL23472630 0.80 MAPT (0.39) MAPTHTTALDH1A1HPGDCYP1A2
SCHEMBL20219401 0.79 ALDH1A1 (0.43) HTTALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL20219406 0.79 S1PR4 (0.35) S1PR4TDP1MAPTHTTALDH1A1
SCHEMBL23472210 0.79 MTNR1B (0.47) MAPT
SCHEMBL23472201 0.78 TLR7 (0.51) CYP1A2

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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