SCHEMBL10945262

SCHEMBL10945262

CCCCCOc1c(OC)cc(N)c2nccc(C)c12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.40
MAOB P27338 10/20 0.40
GSK3B P49841 1/20 0.39
NSD2 O96028 1/20 0.39
CASP6 P55212 1/20 0.39
G6PD P11413 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
SCHEMBL10946541 0.99 MAOA (0.39) MAOAMAOB
SCHEMBL10946135 0.99 MAOA (0.39) MAOAMAOB
SCHEMBL10943568 0.99 MAOA (0.39) MAOAMAOB
SCHEMBL9719142 0.85 MAOA (0.41) MAOAMAOBGSK3B
SCHEMBL9719254 0.84 PDE4A (0.42) MAOAMAOBGSK3B
SCHEMBL9719204 0.84 PDE4A (0.42) MAOAMAOBGSK3B
SCHEMBL9719154 0.84 PDE4A (0.42) MAOAMAOBGSK3B
SCHEMBL9719118 0.84 PDE4A (0.42) MAOAMAOBGSK3B
SCHEMBL11544326 0.84 NSD2 (0.46) MAOAMAOBGSK3BNSD2CASP6
SCHEMBL9719140 0.83 MAOA (0.41) MAOAMAOBGSK3BNSD2CASP6

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
US-4554279-A PLASMODICIDAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1985-11-19 US disclosed