SCHEMBL9583926

SCHEMBL9583926

CNc1c2c(nc3cccc(F)c13)OCCC2

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 13/20 0.67
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ ELANE P08246 1/20 0.32

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
SCHEMBL9211409 0.80 ACHE (1.00) ACHE
SCHEMBL9583346 0.79 ACHE (0.57) ACHE
SCHEMBL9583434 0.78 ACHE (0.55) ACHE
SCHEMBL9583223 0.78 ACHE (0.55) ACHEALDH1A1CYP1A2
SCHEMBL9583737 0.70 ACHE (1.00) ACHEALDH1A1CYP1A2
SCHEMBL9583526 0.67 ACHE (1.00) ACHEALDH1A1CYP1A2ELANE
SCHEMBL9215322 0.62 ACHE (1.00) ACHEALDH1A1CYP1A2TP53
SCHEMBL14616764 0.61 ACHE (0.45) ACHETP53SMN1; SMN2
SCHEMBL28346270 0.60 ACHE (0.35) ACHE
SCHEMBL12963984 0.59 ACHE (0.40) ACHEALDH1A1CYP1A2SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202440-A Certain 9-amino-2-(or 4)-oxa 1,2,3,4-tetrahydro- or 1,2,3,4,5,6,7,8-octahydro-acridines PFIZER INC. (US) 1993-04-13 — — US disclosed
EP-0311303-A2 4-aminopyridine derivatives PFIZER INC. (US) 1989-04-12 — — EP disclosed
WO-1989002739-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO disclosed
WO-1989002740-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO disclosed
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