SCHEMBL17306578

SCHEMBL17306578

c1ccc(-c2ccc3c(-c4ccccc4)nc(-c4cc(-c5ccc(-c6cccnc6)cc5)cc(-c5ccc(-c6ncccn6)cc5)c4)nc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CYP2A6 P11509 2/20 0.43
▸ CYP1A2 P05177 4/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ CLK4 Q9HAZ1 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ CYP19A1 P11511 2/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ WHR1 P49842 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL17307021 1.00 HPGD (0.49) HPGDMEN1KMT2AATMCYP2A6
SCHEMBL17307039 0.94 HPGD (0.51) HPGDMEN1KMT2AATMCYP1A2
SCHEMBL17306581 0.94 HPGD (0.51) HPGDMEN1KMT2AATMCYP1A2
SCHEMBL17307052 0.94 HPGD (0.51) HPGDMEN1KMT2AATMCYP1A2
SCHEMBL17307035 0.94 HPGD (0.51) HPGDMEN1KMT2AATMCYP1A2
SCHEMBL17306461 0.93 HPGD (0.47) HPGDMEN1KMT2AATMCYP2A6
SCHEMBL17307028 0.93 HPGD (0.50) HPGDMEN1KMT2AATMCYP1A2
SCHEMBL17307024 0.93 HPGD (0.50) HPGDMEN1KMT2AATMCYP1A2
SCHEMBL17306440 0.92 HPGD (0.47) HPGDMEN1KMT2AATMCYP2A6
SCHEMBL17307055 0.92 CYP1A2 (0.45) HPGDMEN1KMT2AATMCYP2A6

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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