SCHEMBL11264589

SCHEMBL11264589

Clc1nc(NCCSc2ccccc2)c2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 8/20 0.63
▸ PDE5A O76074 3/20 0.58
▸ MAPK1 P28482 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RAD52 P43351 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ BCHE P06276 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ ACP1 P24666 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL11250277 0.92 APP (0.60) APPPDE5AMAPK1CYP1A2CYP3A4
SCHEMBL11243542 0.91 APP (0.56) APPPDE5AMAPK1CYP1A2CYP3A4
SCHEMBL11254484 0.88 APP (0.53) APPPDE5AMAPK1CYP1A2CYP3A4
SCHEMBL11242191 0.83 APP (0.54) APPPDE5AMAPK1CYP1A2CYP3A4
SCHEMBL11249235 0.83 APP (0.56) APPPDE5AMAPK1CYP1A2CYP3A4
SCHEMBL11244411 0.82 APP (0.62) APPPDE5AMAPK1CYP1A2CYP3A4
SCHEMBL11253738 0.81 APP (0.54) APPPDE5AMAPK1CYP1A2CYP3A4
SCHEMBL11255663 0.81 APP (0.51) APPPDE5AMAPK1CYP1A2CYP3A4
SCHEMBL11246642 0.81 APP (0.68) APPPDE5AMAPK1CYP1A2CYP3A4
SCHEMBL4904310 0.79 APP (0.70) APPPDE5ABCHEACHETLR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 — — US disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 — — US disclosed
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