SCHEMBL29994976

SCHEMBL29994976

COC(=O)c1ccccc1N1C=CC=CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CFTR P13569 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.40
ALOX12 P18054 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL29995997 0.78 TDP1 (0.43) ALDH1A1KDM4EL3MBTL1
SCHEMBL29995876 0.78 L3MBTL1 (0.46) MYCALDH1A1KDM4EL3MBTL1ALOX15
SCHEMBL27625105 0.77 MYC (0.49) MYCSMN1; SMN2TSHRLMNAPOLB
SCHEMBL30703501 0.76 MYC (0.58) MYCSMN1; SMN2TSHRLMNAPOLB
SCHEMBL6264126 0.73 ALDH1A1 (0.47) MYCSMN1; SMN2TSHRLMNAPOLB
SCHEMBL15434915 0.72 MYC (0.66) MYCSMN1; SMN2TSHRLMNAPOLB
SCHEMBL9276285 0.71 MGLL (0.37)
SCHEMBL28406341 0.71 GAA (0.36) SMN1; SMN2LMNAPOLBKMT2AMEN1
SCHEMBL23708768 0.70 NPC1 (0.60) MYCSMN1; SMN2TSHRLMNAPOLB
SCHEMBL8876281 0.69 KMT2A (0.62) MYCSMN1; SMN2TSHRLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117377668-A Inhalant formulations of PGDH inhibitors and methods of use thereof 迈欧伏特治疗公司 2024-01-09 CN disclosed
CN-115768757-A CD206 modulators and uses and methods of making thereof 美利坚合众国,由健康及人类服务部部长代表 2023-03-07 CN disclosed
CN-115335043-A PGDH inhibitors and methods of making and using 迈欧伏特治疗公司 2022-11-11 CN disclosed