SCHEMBL8818148

SCHEMBL8818148

COc1ccc(-c2nc(-c3cccc(C)n3)nc3ccccc23)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ POLB P06746 2/20 0.50
▸ CRHR1 P34998 1/20 0.47
▸ MAPT P10636 6/20 0.44
▸ LMNA P02545 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TP53 P04637 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TGFBR1 P36897 3/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43

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
SCHEMBL8815721 0.91 KDM4E (0.53) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL8817333 0.90 CRHR1 (0.46) MEN1KMT2AKDM4EPOLBCRHR1
SCHEMBL8818637 0.88 GRM2 (0.47) MAPTLMNAGAAALDH1A1ADORA2A
SCHEMBL8814815 0.88 TGFBR1 (0.43) MAPTGAAALDH1A1ADORA2ATGFBR1
SCHEMBL8816582 0.87 ADORA2A (0.58) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL8816502 0.85 MAPT (0.43) MAPTLMNAGAAALDH1A1ADORA2A
SCHEMBL8815416 0.83 KMT2A (0.47) MEN1KMT2ALMNATP53TSHR
SCHEMBL8816575 0.82 ADORA2A (0.62) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL8818254 0.82 ADORA2A (0.58) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL8818694 0.81 ADORA2A (0.48) MEN1KMT2AKDM4EMAPTLMNA

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-2012066122-A1 2 - (PYRIDIN- 2 -YL) -QUINAZOLINE DERIVATIVES AND THEIR USE AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-24 — — WO disclosed
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