SCHEMBL7705871

SCHEMBL7705871

CC(=O)Nc1cccc(-c2cc(N)n3nc(-c4cccs4)nc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.55
ADORA2A P29274 2/20 0.52
MEN1 O00255 1/20 0.46
ABCB1 P08183 1/20 0.46
KMT2A Q03164 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
TP53 P04637 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
DYRK3 O43781 1/20 0.42

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
SCHEMBL7705969 0.86 MAPT (0.52) FYNMEN1ABCB1KMT2AABCG2
SCHEMBL7709149 0.84 FYN (0.46) FYNMAPT
SCHEMBL7708573 0.81 ADORA2A (0.52) ADORA2AMEN1KMT2AADORA3TP53
SCHEMBL7709150 0.81 ADORA2A (0.54) FYNADORA2AMEN1KMT2AADORA3
SCHEMBL7484739 0.80 ADORA2A (0.52) ADORA2AADORA3HSD17B10
SCHEMBL7705893 0.80 ADORA2A (0.52) FYNADORA2ATP53KDM4ENPC1
SCHEMBL7481934 0.80 ADORA2A (0.54) FYNADORA2ATP53KDM4ENPC1
SCHEMBL7708431 0.80 POLB (0.43) FYNTP53KDM4EALDH1A1MAPT
SCHEMBL7708740 0.80 ADORA2A (0.57) FYNADORA2AMEN1KMT2AADORA3
SCHEMBL7708503 0.79 NPC1 (0.53) FYNADORA2AMEN1KMT2AADORA3

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