SCHEMBL17306466

SCHEMBL17306466

Cc1cccc(-c2ccc3nc(-c4cc(-c5ccc(-c6ccccn6)cc5)cc(-c5cc6ccccc6c6ccccc56)c4)nc(-c4ccccc4)c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GRM5 P41594 3/20 0.39
▸ NR1I3 Q14994 1/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ WHR1 P49842 1/20 0.34

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
SCHEMBL17307077 0.94 HSD17B10 (0.39) MAPTLMNANPSR1L3MBTL1GRM5
SCHEMBL17306771 0.88 MEN1 (0.39) MAPTLMNANPSR1L3MBTL1GRM5
SCHEMBL17306500 0.87 KMT2A (0.45) MAPTLMNAL3MBTL1HIF1AADORA3
SCHEMBL17306463 0.86 CYP11B1 (0.48) MAPTLMNANR1I3HIF1AKDM4E
SCHEMBL17307083 0.85 DHODH (0.42) MAPTLMNAGRM5HIF1AKDM4E
SCHEMBL17306596 0.84 MEN1 (0.41) MAPTLMNAHIF1AADORA3KDM4E
SCHEMBL17306754 0.84 DHODH (0.43) MAPTLMNAGRM5HIF1AKDM4E
SCHEMBL17307080 0.84 DHODH (0.43) MAPTLMNAGRM5HIF1AKDM4E
SCHEMBL17306699 0.84 DHODH (0.43) MAPTLMNAGRM5HIF1AKDM4E
SCHEMBL17306475 0.83 DHODH (0.43) MAPTLMNAHIF1AADORA3KDM4E

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
WO-2015182769-A1 QUINAZOLINE AND BENZOQUINAZOLINE COMPOUNDS AND PRODUCTION AND USE OF SAME 東ソー株式会社 2015-12-03 — — WO disclosed
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