SCHEMBL17306772

SCHEMBL17306772

c1ccc(-c2cccc(-c3ccc4c(-c5ccccc5)nc(-c5cc(-c6cccc(-c7ccccn7)c6)cc(-c6cccc(-c7ccccn7)n6)c5)nc4c3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CCR1 P32246 2/20 0.41
▸ CCR5 P51681 2/20 0.41
▸ CCR8 P51685 2/20 0.41
▸ ALPL P05186 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ WHR1 P49842 1/20 0.38

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
SCHEMBL17306606 0.93 MEN1 (0.46) KDM4ELMNASMN1; SMN2TP53HTT
SCHEMBL17307040 0.93 MEN1 (0.46) KDM4ELMNASMN1; SMN2TP53HTT
SCHEMBL17306658 0.93 MEN1 (0.46) KDM4ELMNASMN1; SMN2TP53HTT
SCHEMBL17306445 0.92 MEN1 (0.43) KDM4ELMNASMN1; SMN2TP53HTT
SCHEMBL17306745 0.92 MEN1 (0.43) KDM4ELMNASMN1; SMN2TP53HTT
SCHEMBL17307029 0.92 MEN1 (0.45) KDM4ELMNASMN1; SMN2TP53HTT
SCHEMBL17306568 0.92 MEN1 (0.45) KDM4ELMNASMN1; SMN2TP53HTT
SCHEMBL17306769 0.92 MEN1 (0.47) KDM4ELMNASMN1; SMN2TP53HTT
SCHEMBL17306740 0.91 DHODH (0.43) KDM4ELMNASMN1; SMN2TP53HTT
SCHEMBL17306662 0.91 DHODH (0.43) KDM4ELMNASMN1; SMN2TP53HTT

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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