SCHEMBL7705969

SCHEMBL7705969

CC(=O)Nc1cccc(-c2cc(N)n3nc(-c4ccccc4)nc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
POLB P06746 2/20 0.52
TP53 P04637 2/20 0.52
FYN P06241 7/20 0.49
KDM4E B2RXH2 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
STAT1 P42224 1/20 0.46
TSHR P16473 1/20 0.46
NQO2 P16083 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46

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
SCHEMBL7705893 0.88 ADORA2A (0.52) MAPTTP53FYNKDM4ERXFP1
SCHEMBL7705871 0.86 FYN (0.55) MAPTTP53FYNKDM4ESMN1; SMN2
SCHEMBL7484739 0.86 ADORA2A (0.52) MAPK1CYP2C19
SCHEMBL7708431 0.85 POLB (0.43) MAPTPOLBTP53FYNKDM4E
SCHEMBL7481934 0.85 ADORA2A (0.54) MAPTPOLBTP53FYNKDM4E
SCHEMBL7708830 0.84 MAPT (0.46) MAPTPOLBTP53KDM4ENPSR1
SCHEMBL7709149 0.82 FYN (0.46) MAPTPOLBFYN
SCHEMBL7423524 0.79 ALDH1A1 (0.53) MAPTPOLBTP53KDM4ESMN1; SMN2
SCHEMBL7709122 0.78 MAOA (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL6868100 0.78 ADORA2A (0.44) MAPTPOLBTP53KDM4ESMN1; 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
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed