SCHEMBL29101045

SCHEMBL29101045

CC(C)(Br)C(=O)N(C#N)CCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
AOC3 Q16853 1/20 0.42
RIPK1 Q13546 2/20 0.41
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.38
FFAR1 O14842 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HPGD P15428 2/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 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
SCHEMBL29101086 0.88 SMN1; SMN2 (0.39) TAAR1FFAR1TDP1HPGD
SCHEMBL29101078 0.87 HDAC1 (0.42) TAAR1FFAR1
SCHEMBL29101074 0.87 MEN1 (0.41) TAAR1AOC3RIPK1POLBTDP1
SCHEMBL29101062 0.85 AOC3 (0.44) AOC3SIGMAR1
SCHEMBL29101087 0.83 TAAR1 (0.50) TAAR1RIPK1SIGMAR1HTR2A
SCHEMBL2528423 0.70 RIPK1 (0.47) RIPK1NSD2HPGD
SCHEMBL2526338 0.69 NSD2 (0.48) RIPK1NSD2FFAR1TDP1
SCHEMBL3654575 0.68 CTSS (0.36) SIGMAR1
SCHEMBL3457762 0.67 ALDH1A1 (0.47) TAAR1AOC3TDP1HPGD
SCHEMBL5170828 0.67 CTSS (0.48) TAAR1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574101-A Method for continuously preparing imidazopyridone compounds by photocatalysis 南京工业大学 2023-08-11 CN claimed
CN-116574101-A Method for continuously preparing imidazopyridone compounds by photocatalysis 南京工业大学 2023-08-11 CN disclosed