SCHEMBL31544567

SCHEMBL31544567

Cc1cccnc1NC(=O)C(C)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.69
CYP3A4 P08684 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
NPSR1 Q6W5P4 1/20 0.64
MAPT P10636 5/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
FAAH O00519 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.60
PTGS1 P23219 3/20 0.54
PTGS2 P35354 3/20 0.54
CXCR1 P25024 2/20 0.54
CXCR2 P25025 2/20 0.54
MAPK1 P28482 2/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL3155175 0.82 POLB (0.73) HTTCYP3A4CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3258168 0.81 POLB (0.71) HTTCYP3A4CYP1A2CYP2D6CYP2C9
Piketoprofen SCHEMBL3261211 0.79 MAPT (0.65) HTTCYP3A4CYP1A2CYP2D6CYP2C9
Piketoprofen SCHEMBL26199 0.79 MAPT (0.65) HTTCYP3A4CYP1A2CYP2D6CYP2C9
Piketoprofen SCHEMBL3156214 0.79 MAPT (0.65) HTTCYP3A4CYP1A2CYP2D6CYP2C9
Piketoprofen SCHEMBL29706600 0.79 MAPT (0.65) HTTCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL1820700 0.79 MAPT (0.85) HTTCYP3A4CYP1A2CYP2D6CYP2C9
Piketoprofen SCHEMBL19813145 0.78 MAPT (0.64) HTTCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL29376599 0.77 SMN1; SMN2 (0.63) HTTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL28682187 0.77 SMN1; SMN2 (0.63) HTTCYP1A2CYP2C9CYP2C19NPSR1

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-120004759-A Ibuprofen benzyl azide method of naproxen medicine 内蒙古师范大学 2025-05-16 CN disclosed