SCHEMBL7581083

SCHEMBL7581083

Nc1c(N)c2c(c3c1CC3)CC2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.32
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
BPTF Q12830 1/20 0.30

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
SCHEMBL337198 0.78 ACHE (0.48) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL6278337 0.74
SCHEMBL24908103 0.70 ACHE (0.32) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL25198011 0.70 ACHE (0.32) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL25198544 0.64 ACHE (0.42) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL25198553 0.64 ACHE (0.42) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL1246293 0.54 MEN1 (0.30) MEN1KMT2A
SCHEMBL9984719 0.53 SMN1; SMN2 (0.40) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL3884483 0.53
SCHEMBL583260 0.48

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002099419-A1 COMPOSITION AND METHOD FOR DETECTING AN ADULTERANT IN AN AQUEOUS SAMPLE QUEST DIAGNOSTICS INC (US) 2002-12-12 WO claimed