SCHEMBL9628083

SCHEMBL9628083

NCCCc1nc2ccccc2ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
NCF1 P14598 2/20 0.40
NOS2 P35228 1/20 0.40
BACE1 P56817 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MGAM O43451 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL19386131 0.75 PDE10A (0.47) NCF1NOS2BACE1CYP3A4CYP1A2
SCHEMBL31463622 0.73 PIK3CD (0.43) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL3390064 0.73 PIK3CD (0.43) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL17713565 0.72 HRH1 (0.51) MAPTNCF1NOS2BACE1CYP3A4
SCHEMBL4866792 0.70 HRH1 (0.49) MAPTNCF1NOS2BACE1CYP3A4
SCHEMBL8354538 0.70 TLR8 (0.45) MAPTNPC1RAB9AALDH1A1KMT2A
Putrescine SCHEMBL5357478 0.68 NCF1 (0.50) MAPTNCF1NOS2BACE1NPC1
SCHEMBL2305245 0.67 PDE10A (0.50) NCF1NOS2BACE1NPC1RAB9A
SCHEMBL30285321 0.67 PDE10A (0.50) NCF1NOS2BACE1NPC1RAB9A
SCHEMBL31542516 0.67 PIK3CD (0.41) MAPTNPC1RAB9AALDH1A1KMT2A

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-5098901-A Cardiovascular disorders STERLING DRUG INC. (US) 1992-03-24 US disclosed