SCHEMBL12686016

SCHEMBL12686016

C=Cc1cccc(-c2c(-c3ccccc3)cc(-c3cccc(Br)c3)c3c4cccc5ccc6cccc(c23)c6c54)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GUSB P08236 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ACHE P22303 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GRM1 Q13255 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
SCHEMBL16704591 0.89 MAOA (0.39) MAPTMAOAMAOBALDH1A1GUSB
SCHEMBL16704599 0.87 MAOA (0.39) MAPTMAOAMAOBALDH1A1GUSB
SCHEMBL16704593 0.82 NPC1 (0.38) MAPTMAOAMAOBALDH1A1NPC1
SCHEMBL16704583 0.80 NPC1 (0.37) MAPTMAOAMAOBALDH1A1NPC1
SCHEMBL16704581 0.79 NPC1 (0.38) MAPTMAOAMAOBALDH1A1NPC1
SCHEMBL17536911 0.79 NPC1 (0.38) MAPTMAOAMAOBALDH1A1NPC1
SCHEMBL12470668 0.78 ALDH1A1 (0.45) MAPTMAOAMAOBALDH1A1RAB9A
SCHEMBL16704596 0.76 GABRA1 (0.38) MAPTMAOBALDH1A1NPC1RAB9A
SCHEMBL16704592 0.76 GABRA1 (0.38) MAPTMAOBALDH1A1NPC1LMNA
SCHEMBL12686018 0.75 NPC1 (0.36) MAPTALDH1A1NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012107163-A1 SUBSTITUTED DIBENZONAPHTHACENE MERCK PATENT GMBH (DE) 2012-08-16 WO disclosed