SCHEMBL30128671

SCHEMBL30128671

NCCCCCCCCCCCC(N)Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.42
HTR2A P28223 1/20 0.42
MAOA P21397 1/20 0.39
MMP2 P08253 3/20 0.39
LTA4H P09960 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SLC7A5 Q01650 4/20 0.36
MMP9 P14780 1/20 0.36
CPB2 Q96IY4 1/20 0.35
TLR2 O60603 1/20 0.35
GSR P00390 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 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
SCHEMBL28020667 0.82
SCHEMBL28766902 0.81 CSNK1E (0.45) TDP1
SCHEMBL28765035 0.79 TDP1 (0.43) TDP1
SCHEMBL7613915 0.77 HDAC3 (0.42) HRH1HTR2AMMP2DPP8DPP9
SCHEMBL11810394 0.76 TLR2 (0.45) TLR2
SCHEMBL28408164 0.75 TLR2 (0.50) HRH1HTR2AMAOAMMP2LTA4H
SCHEMBL4165020 0.75 TDP1 (0.46) MAOATDP1
SCHEMBL27928247 0.75 ALDH1A1 (0.44) MAOALTA4HTDP1
SCHEMBL6578880 0.74 MMP2 (0.56) MMP2MMP9CPB2TLR2GSR
SCHEMBL6578877 0.74 MMP2 (0.56) MMP2MMP9CPB2TLR2GSR

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-115490824-A End-capped benzoxazine resin, bisphthalonitrile-based composite material containing end-capped benzoxazine resin and composite cured resin 中国石油化工股份有限公司 2022-12-20 CN disclosed