SCHEMBL28567911

SCHEMBL28567911

CNC(=O)N(C)c1ccc(Cl)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.45
ROCK2 O75116 1/20 0.42
APEX1 P27695 1/20 0.39
S1PR1 P21453 5/20 0.38
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5046029 0.87 RAB9A (0.46) GPBAR1ROCK2SMN1; SMN2CYP3A4CYP2C19
SCHEMBL30047589 0.86 APEX1 (0.49) GPBAR1ROCK2APEX1SMN1; SMN2CYP3A4
SCHEMBL7052343 0.86 APEX1 (0.49) GPBAR1ROCK2APEX1SMN1; SMN2CYP3A4
SCHEMBL11814688 0.83 MEN1 (0.40) GPBAR1APEX1S1PR1MCL1SMN1; SMN2
SCHEMBL2092040 0.81 GPBAR1 (0.48) GPBAR1S1PR1MCL1SMN1; SMN2CYP3A4
SCHEMBL2092038 0.81 GPBAR1 (0.48) GPBAR1S1PR1MCL1TAS1R3TAS1R1
SCHEMBL14426576 0.81 GPBAR1 (0.48) GPBAR1S1PR1MCL1SMN1; SMN2MEN1
SCHEMBL2096682 0.80 GPBAR1 (0.45) GPBAR1S1PR1MCL1SMN1; SMN2TAS1R3
SCHEMBL534366 0.78 ROCK2 (0.43) ROCK2SMN1; SMN2CYP3A4KMT2ALMNA
SCHEMBL9408595 0.78 ROCK2 (0.59) ROCK2SMN1; SMN2CYP3A4PKMLMNA

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-112226039-A Resin matrix for LDS (laser direct structuring) process, preparation method and prepreg 江苏澳盛复合材料科技有限公司 2021-01-15 CN disclosed