SCHEMBL28031673

SCHEMBL28031673

C=Cc1ccc(N2COc3ccc(C)cc3C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
VDR P11473 1/20 0.38
RIPK1 Q13546 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ACLY P53396 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
MAOB P27338 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12645280 0.81 VDR (0.51) MAPTSMN1; SMN2GAAVDRRIPK1
SCHEMBL21793372 0.81 KDM4E (0.43) MAPTSMN1; SMN2GAAVDRRIPK1
SCHEMBL15202642 0.81 MAPT (0.46) MAPTSMN1; SMN2GAAVDRRIPK1
SCHEMBL27771874 0.81 MAPT (0.38) MAPTSMN1; SMN2GAAVDRALDH1A1
SCHEMBL28031689 0.81 CHKA (0.35) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL28032380 0.80 MEN1 (0.38) MAPTSMN1; SMN2GAAVDRTP53
SCHEMBL12162778 0.80 MAPT (0.46) MAPTSMN1; SMN2GAAVDRTP53
SCHEMBL25848287 0.79 VDR (0.54) MAPTSMN1; SMN2GAAVDRRIPK1
SCHEMBL16248295 0.78 MAPT (0.45) MAPTSMN1; SMN2GAAVDRRIPK1
SCHEMBL27945449 0.78 MAPT (0.42) MAPTSMN1; SMN2GAAVDRRIPK1

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-104926749-A Benzoxazine monomer comprising vinyl benzene structure, and application and preparation method of benzoxazine monomer UNIV HUAZHONG SCIENCE TECH 2015-09-23 CN disclosed