SCHEMBL5598284

SCHEMBL5598284

N=C(N)c1nccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.59
F12 P00748 1/20 0.59
NCF1 P14598 1/20 0.59
NOS3 P29474 1/20 0.59
NOS1 P29475 1/20 0.59
NOS2 P35228 1/20 0.59
BACE1 P56817 1/20 0.59
PLG P00747 1/20 0.53
CYP2A6 P11509 1/20 0.48
CNR2 P34972 5/20 0.46
RAB9A P51151 2/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
TSHR P16473 2/20 0.41

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
Hydrochloric Acid SCHEMBL7002084 0.98 PLAU (0.57) PLAUF12NCF1NOS3NOS1
Hydrochloric Acid SCHEMBL5729154 0.98 PLAU (0.57) PLAUF12NCF1NOS3NOS1
SCHEMBL3816448 0.84 PLAU (0.53) PLAUF12NCF1NOS3NOS1
SCHEMBL29358323 0.82 CNR2 (0.53) PLAUF12NCF1NOS3NOS1
SCHEMBL111310 0.82 CNR2 (0.53) PLAUF12NCF1NOS3NOS1
Naphthalene SCHEMBL10758679 0.81 CNR2 (0.51) PLAUF12NCF1NOS3NOS1
Hydrochloric Acid SCHEMBL4433615 0.81 CNR2 (0.51) PLAUF12NCF1NOS3NOS1
SCHEMBL28198741 0.81 CNR2 (0.51) PLAUF12NCF1NOS3NOS1
SCHEMBL25482213 0.80 CYP2A6 (0.53) PLAUF12NCF1NOS3NOS1
SCHEMBL6448849 0.79 PLAU (0.48) PLAUF12NCF1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 WO disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed