SCHEMBL11679136

SCHEMBL11679136

COc1cc2ncc(C(=O)Nc3nnn[nH]3)c(=O)n2c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ POLB P06746 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 7/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 2/20 0.36

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
SCHEMBL11679111 0.91 MAPT (0.41) ALDH1A1POLBMEN1NPC1CYP1A2
SCHEMBL11682248 0.88 POLB (0.37) ALDH1A1POLBMEN1NPC1CYP1A2
SCHEMBL11683739 0.86 RAB9A (0.38) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL10778542 0.79 MAPT (0.38) ALDH1A1POLBNPC1CYP1A2CYP3A4
SCHEMBL11389207 0.79 KDM4E (0.46) ALDH1A1CYP1A2KDM4EHPGDPTPN1
SCHEMBL11730688 0.76 TP53 (0.44) ALDH1A1POLBMEN1NPC1CYP1A2
SCHEMBL10735067 0.75 IRAK4 (0.40) ALDH1A1POLBMEN1NPC1RAB9A
SCHEMBL11388659 0.74 MEN1 (0.54) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL10993418 0.73 MAPT (0.41) ALDH1A1NPC1CYP1A2RAB9AKDM4E
SCHEMBL11740180 0.73 TP53 (0.43) ALDH1A1POLBKDM4EHPGDHSD17B10

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-4017625-A Anti-allergic N-(5-tetrazolyl)-1-oxo-1H-6-alkoxypyrimido-[1,2-a]quinoline-2-carboxamides and intermediates therefor PFIZER INC. (US) 1977-04-12 — — US disclosed
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