SCHEMBL11249591

SCHEMBL11249591

CCCCOCCCNc1nc(Cl)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 3/20 0.58
▸ APP P05067 4/20 0.58
▸ ACP1 P24666 1/20 0.55
▸ PDE5A O76074 2/20 0.53
▸ CASP6 P55212 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ S1PR2 O95136 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL11243968 0.91 GBA1 (0.70) GBA1APPACP1PDE5ACASP6
SCHEMBL15502283 0.89 ACP1 (0.68) GBA1APPACP1PDE5ACASP6
SCHEMBL11665848 0.87 APP (0.63) GBA1APPACP1PDE5ACASP6
SCHEMBL23723479 0.85 KMT2A (0.70) GBA1APPPDE5AMEN1KMT2A
SCHEMBL4904310 0.83 APP (0.70) APPACP1PDE5ACASP6KDM4E
SCHEMBL11245206 0.83 APP (0.62) GBA1APPACP1PDE5AMEN1
SCHEMBL11243280 0.83 APP (0.62) GBA1APPACP1PDE5AMEN1
SCHEMBL11254689 0.82 MEN1 (0.59) GBA1APPPDE5AMEN1KMT2A
SCHEMBL8897898 0.80 CYP1A2 (0.68) APPPDE5AMEN1KMT2AKDM4E
SCHEMBL11256778 0.79 SMN1; SMN2 (0.75) GBA1APPMEN1KMT2AKDM4E

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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