SCHEMBL29153757

SCHEMBL29153757

CC1(C)CCc2cc([N+](=O)[O-])c(F)c(C#N)c2O1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TLR9 Q9NR96 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
VCAM1 P19320 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
SCHEMBL29153748 0.86 ALDH1A1 (0.31) VCAM1
SCHEMBL29153765 0.74 ALDH1A1 (0.36) CYP1A2CYP2C9CYP2C19
SCHEMBL19030293 0.72 VCAM1 (0.43) NPC1RAB9ATLR9CYP1A2CYP2C9
SCHEMBL29153760 0.71 MALT1 (0.33) MALT1
SCHEMBL19030017 0.67 IRAK4 (0.47) CYP1A2CYP2C9CYP2C19
SCHEMBL8881081 0.64 PDE4D (0.43) MALT1
SCHEMBL28022683 0.63 PARP1 (0.41) RAB9ACYP1A2CYP2C9CYP2C19VCAM1
SCHEMBL19030389 0.62 MAPT (0.41) CYP1A2CYP2C9CYP2C19VCAM1
SCHEMBL23423365 0.62 AKT1 (0.41) MALT1
SCHEMBL15947314 0.61 KDM1A (0.36) MALT1

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-117510497-A DGK zeta inhibitors 山东轩竹医药科技有限公司 2024-02-06 CN disclosed