SCHEMBL29913799

SCHEMBL29913799

Oc1cc2c(cc1Br)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
ADCY2 Q08462 2/20 0.41
ADCY6 O43306 1/20 0.41
ADCY3 O60266 1/20 0.41
ADCY9 O60503 1/20 0.41
ADCY5 O95622 1/20 0.41
ADCY8 P40145 1/20 0.41
ADCY7 P51828 1/20 0.41
ADCY1 Q08828 1/20 0.41
ADCY4 Q8NFM4 1/20 0.41

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
SCHEMBL650257 1.00 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL6167302 0.95 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL1535914 0.81 MAPT (0.59) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL30450721 0.81 GRIN2D (0.40) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL14035592 0.81 GRIN2D (0.40) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL10703643 0.78 DRD1 (0.54) HTR2AHTR2CADCY2DRD1DRD2
SCHEMBL29181736 0.78 MAOA (0.53) ALDH1A1KDM4EMEN1PKMKMT2A
SCHEMBL30811403 0.78 MAOA (0.53) ALDH1A1KDM4EMEN1PKMKMT2A
Bromide SCHEMBL10703209 0.76 DRD1 (0.55) HTR2AHTR2CADCY2DRD1DRD2
SCHEMBL6568351 0.75 MAPT (0.67) ALDH1A1MAPTKDM4EMEN1GAA

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-118344325-A PI3K selective inhibitors 轩竹生物科技股份有限公司 2024-07-16 CN disclosed
CN-118251393-A Novel substituted sulfonylurea compounds as inhibitors of interleukin-1 activity 唯久生物技术(苏州)有限公司 2024-06-25 CN disclosed
CN-110114343-B Pyrazolopyrimidine compounds and methods of use thereof 豪夫迈·罗氏有限公司 2022-09-06 CN disclosed