SCHEMBL11244103

SCHEMBL11244103

COc1ccccc1SCCCCCNc1nc(Cl)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.55
▸ RAD52 P43351 4/20 0.47
▸ PDE5A O76074 2/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP2D6 P10635 3/20 0.45
▸ USP2 O75604 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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 0.77 APP (0.60) APPPDE5ACYP1A2CYP2D6ALDH1A1
SCHEMBL11665848 0.76 APP (0.63) APPPDE5ALMNAKDM4ESMN1; SMN2
SCHEMBL11249235 0.76 APP (0.56) APPPDE5ACYP1A2CYP2D6USP2
SCHEMBL11244506 0.76 APP (0.54) APPRAD52PDE5ACYP1A2CYP2D6
SCHEMBL23723479 0.75 KMT2A (0.70) APPPDE5ACYP1A2CYP2D6USP2
SCHEMBL11240444 0.75 APP (0.55) APPRAD52PDE5ACYP1A2CYP2D6
SCHEMBL11242191 0.74 APP (0.54) APPRAD52PDE5ACYP1A2CYP2D6
SCHEMBL15502283 0.74 ACP1 (0.68) APPPDE5AMEN1KMT2ALMNA
SCHEMBL3113286 0.73 CYP1A2 (0.70) APPPDE5ACYP1A2CYP2D6USP2
SCHEMBL8897898 0.72 CYP1A2 (0.68) APPPDE5ACYP1A2CYP2D6USP2

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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