SCHEMBL28880740

SCHEMBL28880740

COc1cc(Nc2cccc3[nH]cc(C(C)OC=O)c23)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
PTK2 Q05397 5/20 0.37
GAK O14976 2/20 0.35
RIPK2 O43353 2/20 0.35
COQ8A Q8NI60 2/20 0.35
NLK Q9UBE8 2/20 0.35
TOP1 P11387 1/20 0.35
BRAF P15056 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
BMPR1B O00238 1/20 0.34

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
SCHEMBL28338774 0.85 PTGS2 (0.35) PTGS2PTK2GAKRIPK2COQ8A
SCHEMBL28168774 0.84 PTK6 (0.41) MEN1LMNAKMT2AMAPK14EGFR
SCHEMBL28678155 0.79 HTR2A (0.45) MEN1KMT2A
SCHEMBL27908784 0.76 MTNR1A (0.43) PTK2BRAFLMNAABL1EGFR
SCHEMBL28293160 0.74 L3MBTL1 (0.40) JAK2
SCHEMBL28844707 0.74 IDO1 (0.38) EGFRIDO1TDO2
SCHEMBL27369292 0.72 GPR84 (0.44) MEN1KMT2A
SCHEMBL27908791 0.71 HTR2A (0.35) MEN1KMT2A
SCHEMBL27906752 0.71 FFAR1 (0.43)
SCHEMBL27771264 0.71 HTR2A (0.44) MEN1KMT2A

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
CN-110483366-A Benzazole compounds and preparation method thereof, pharmaceutical composition and purposes INST MATERIA MEDICA CAMS 2019-11-22 CN disclosed