SCHEMBL30168552

SCHEMBL30168552

CCc1nn(CC(=O)O)c(=O)c2ccc(Br)cc12

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.68
TSHR P16473 1/20 0.52
AKR1B1 P15121 7/20 0.49
CMA1 P23946 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NLRP3 Q96P20 1/20 0.44
RAB9A P51151 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43

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
SCHEMBL24077161 1.00 ALOX15 (0.68) ALOX15TSHRAKR1B1CMA1CYP1A2
SCHEMBL26733145 0.88 TSHR (0.53) ALOX15TSHRAKR1B1CMA1CYP1A2
SCHEMBL24076931 0.86 CYP2C19 (0.60) ALOX15CYP1A2CYP2C9MEN1KMT2A
SCHEMBL25748370 0.86 ALOX15 (0.51) ALOX15TSHRAKR1B1CMA1CYP1A2
SCHEMBL24076925 0.85 ALOX15 (0.70) ALOX15TSHRAKR1B1CMA1CYP1A2
SCHEMBL24076920 0.85 ALOX15 (0.70) ALOX15TSHRAKR1B1CMA1CYP1A2
SCHEMBL25430777 0.83 ALOX15 (0.49) ALOX15TSHRAKR1B1CMA1CYP1A2
SCHEMBL30451946 0.83 ALOX15 (0.49) ALOX15TSHRAKR1B1CMA1CYP1A2
SCHEMBL26733180 0.83 ALOX15 (0.49) ALOX15TSHRAKR1B1CMA1CYP1A2
SCHEMBL29426564 0.82 ALOX15 (0.51) ALOX15TSHRAKR1B1CMA1CYP1A2

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-115667225-A Compound (I) 詹森药业有限公司 2023-01-31 CN disclosed