SCHEMBL11242191

SCHEMBL11242191

Cc1ccc(SCCCNc2nc(Cl)nc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.54
▸ PDE5A O76074 1/20 0.50
▸ RAD52 P43351 2/20 0.48
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ SMARCA2 P51531 1/20 0.45
▸ PGK1 P00558 1/20 0.45
▸ ACP1 P24666 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ CASP6 P55212 1/20 0.42

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
SCHEMBL11243542 0.93 APP (0.56) APPPDE5ARAD52CYP1A2CYP3A4
SCHEMBL11250277 0.91 APP (0.60) APPPDE5ACYP1A2CYP3A4CYP2C19
SCHEMBL11255663 0.87 APP (0.51) APPPDE5ARAD52CYP1A2CYP3A4
SCHEMBL11253738 0.86 APP (0.54) APPPDE5ACYP1A2CYP3A4CYP2C19
SCHEMBL11264589 0.83 APP (0.63) APPPDE5ARAD52CYP1A2CYP3A4
SCHEMBL11252777 0.81 LMNA (0.59) APPCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL11254484 0.80 APP (0.53) APPPDE5ARAD52CYP1A2CYP3A4
SCHEMBL11251275 0.78 GBA1 (0.63) APPPDE5ARAD52CYP1A2CYP3A4
SCHEMBL15502283 0.78 ACP1 (0.68) APPPDE5AKDM4EMEN1KMT2A
SCHEMBL23723479 0.77 KMT2A (0.70) APPPDE5ACYP1A2CYP3A4CYP2C19

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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