SCHEMBL11250987

SCHEMBL11250987

Cc1ccccc1OC(C)(C)CNc1nc(Cl)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.52
▸ PDE5A O76074 1/20 0.52
▸ KCNA5 P22460 1/20 0.51
▸ SLC2A1 P11166 2/20 0.42
▸ CYP1A2 P05177 5/20 0.41
▸ CYP3A4 P08684 5/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TLR7 Q9NYK1 1/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL11246699 0.84 APP (0.57) APPPDE5AKCNA5CYP1A2CYP3A4
SCHEMBL11246726 0.82 LDHA (0.50) APPKCNA5CYP1A2HSD17B10KDM4E
SCHEMBL11240404 0.82 APP (0.52) APPPDE5AKCNA5KDM4ETLR7
SCHEMBL11251043 0.80 APP (0.56) APPPDE5ASLC2A1CYP1A2CYP3A4
SCHEMBL11259177 0.80 APP (0.49) APPPDE5AKCNA5CYP1A2CYP3A4
SCHEMBL11254611 0.78 APP (0.50) APPPDE5AKCNA5SLC2A1CYP1A2
SCHEMBL17799955 0.78 SLC6A3 (0.59) APPPDE5AKCNA5KDM4ETLR7
SCHEMBL9776789 0.75 APP (0.67) APPPDE5ASLC2A1CYP1A2CYP3A4
SCHEMBL11240704 0.75 APP (0.49) APPPDE5AKCNA5SLC2A1CYP1A2
SCHEMBL11251106 0.74 LDHA (0.49) APPKCNA5CYP1A2HSD17B10KDM4E

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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