SCHEMBL17307075

SCHEMBL17307075

c1ccc(-c2nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ccccn5)c5ccccc45)c3)nc3ccc(-c4cccc5ccccc45)cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ TGFBR1 P36897 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ WHR1 P49842 1/20 0.34
▸ ACVR1 Q04771 2/20 0.34
▸ LMNA P02545 2/20 0.33

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
SCHEMBL17306482 0.94 ALDH1A1 (0.38) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL17307083 0.86 DHODH (0.42) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL17307077 0.86 HSD17B10 (0.39) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL17306490 0.85 DHODH (0.44) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL17306797 0.85 ATM (0.46) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL17306699 0.85 DHODH (0.43) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL17306754 0.85 DHODH (0.43) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL17307080 0.85 DHODH (0.43) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL17306713 0.84 WHR1 (0.42) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL17932379 0.84 ALDH1A1 (0.47) MAPTKDM4EHSD17B10ALDH1A1HPGD

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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