SCHEMBL7708425

SCHEMBL7708425

COc1ccc(-c2cc(N)nc(N)c2)c(OC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.51
BRD9 Q9H8M2 2/20 0.45
BRD7 Q9NPI1 2/20 0.45
PLAU P00749 2/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.39
METAP2 P50579 1/20 0.39
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
CRHR1 P34998 1/20 0.37
AGPAT2 O15120 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
DYRK1A Q13627 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX5AP P20292 1/20 0.35
PIK3CA P42336 1/20 0.35
FYN P06241 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
SCHEMBL31438401 0.79 BRD9 (0.56) ERN1BRD9BRD7PLAUPOLB
SCHEMBL17276010 0.79 BRD9 (0.56) ERN1BRD9BRD7PLAUPOLB
SCHEMBL13500512 0.75 BRD9 (0.47) ERN1BRD9BRD7POLBTDP1
SCHEMBL2037315 0.74 ERN1 (0.49) ERN1BRD9BRD7PLAUPOLB
SCHEMBL18717129 0.73 ERN1 (0.76) ERN1BRD9BRD7
SCHEMBL656848 0.71 POLB (0.50) ERN1BRD9BRD7PLAUPOLB
SCHEMBL30054640 0.71 POLB (0.50) ERN1BRD9BRD7PLAUPOLB
SCHEMBL2614933 0.70 PDE10A (0.48) ERN1BRD9BRD7PLAUPOLB
SCHEMBL2035550 0.70 BRD9 (0.46) ERN1BRD9BRD7PLAUPOLB
SCHEMBL2083715 0.70 CYP1A2 (0.52) ERN1BRD9BRD7PLAUPOLB

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-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed