SCHEMBL11240404

SCHEMBL11240404

Cc1ccc(OC(C)(C)CNc2nc(Cl)nc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.52
▸ PDE5A O76074 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KCNA5 P22460 1/20 0.46
▸ GBA1 P04062 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAD52 P43351 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMARCA2 P51531 1/20 0.41
▸ PGK1 P00558 1/20 0.41
▸ HMOX1 P09601 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39

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 0.92 APP (0.57) APPPDE5AALDH1A1KCNA5GBA1
SCHEMBL11259177 0.87 APP (0.49) APPPDE5AKDM4EALDH1A1KCNA5
SCHEMBL11250104 0.82 EGFR (0.52) APPMEN1LMNAMAPTKMT2A
SCHEMBL11250987 0.82 APP (0.52) APPPDE5AKDM4EALDH1A1KCNA5
SCHEMBL11251275 0.80 GBA1 (0.63) APPPDE5AKDM4EALDH1A1GBA1
SCHEMBL11260802 0.78 GBA1 (0.54) APPPDE5AKDM4EALDH1A1GBA1
SCHEMBL17799955 0.78 SLC6A3 (0.59) APPPDE5AKDM4EALDH1A1KCNA5
SCHEMBL3113251 0.78 APP (0.81) APPPDE5AKDM4EALDH1A1GBA1
SCHEMBL11242446 0.77 EGFR (0.57) APPKDM4EALDH1A1MEN1LMNA
SCHEMBL11245793 0.75 EGFR (0.54) APPKDM4EMEN1LMNAMAPT

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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