SCHEMBL24834533

SCHEMBL24834533

CCc1nn(CC(=O)O)c(=O)c2ccc(C3CC3)nc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.54
TSHR P16473 1/20 0.41
CMA1 P23946 3/20 0.40
MAPT P10636 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1B1 P15121 2/20 0.35
S1PR2 O95136 5/20 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
SCHEMBL24834482 0.88 CYP2C19 (0.49) ALOX15TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL31325032 0.83 TSHR (0.41) ALOX15TSHRRAB9AAKR1B1
SCHEMBL25332425 0.82 NLRP3 (0.40) ALOX15TSHRCMA1RAB9A
SCHEMBL24834532 0.82 NLRP3 (0.45) ALOX15RAB9A
SCHEMBL24834837 0.81 ALOX15 (0.60) ALOX15TSHRCMA1MAPTPTGDR2
SCHEMBL31325030 0.81 NLRP3 (0.49) ALOX15TSHRMAPTAKR1B1
SCHEMBL24834535 0.81 NLRP3 (0.47) ALOX15TSHRAKR1B1
SCHEMBL24834513 0.78 ALOX15 (0.56) ALOX15TSHRCMA1MAPTPTGDR2
SCHEMBL24834578 0.78 ALOX15 (0.56) ALOX15TSHRCMA1MAPTPTGDR2
SCHEMBL30169728 0.78 ALOX15 (0.56) ALOX15TSHRCMA1MAPTPTGDR2

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
WO-2023275230-A1 5-OXO-PYRIDO[2,3-D]PYRIDAZIN-6(5H)-YL ACETAMIDES JANSSEN PHARMACEUTICA NV (BE) 2023-01-05 WO disclosed