SCHEMBL30133408

SCHEMBL30133408

CNc1cc(C)cc(Br)n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.61
NOS2 P35228 1/20 0.61
HTR6 P50406 2/20 0.44
NUDT1 P36639 6/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
SORT1 Q99523 1/20 0.30
NCF1 P14598 1/20 0.30

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
SCHEMBL23860983 1.00 NOS3 (0.61) NOS3NOS2HTR6NUDT1ALOX15
SCHEMBL4113732 0.80 NOS3 (0.39) NOS3NOS2HTR6ALDH1A1KDM4E
SCHEMBL1821173 0.77
SCHEMBL26130111 0.77 NOS3 (0.36) NOS3NOS2ALOX15ALDH1A1KDM4E
SCHEMBL943294 0.76 NOS3 (1.00) NOS3NOS2ALOX15ALDH1A1KDM4E
SCHEMBL13727358 0.75 LCK (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5789884 0.74 NOS3 (0.41) NOS3NOS2HTR6NUDT1ALOX15
Hydrochloric Acid SCHEMBL28377173 0.74 NOS3 (0.95) NOS3NOS2ALOX15ALDH1A1KDM4E
SCHEMBL17707988 0.74 NOS3 (0.57) NOS3NOS2NUDT1ALOX15ALDH1A1
SCHEMBL25336171 0.74 NOS3 (0.57) NOS3NOS2NUDT1ALOX15ALDH1A1

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-115605466-B Substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司 2024-11-01 CN disclosed
CN-115605466-A Substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司(US) 2023-01-13 CN disclosed