SCHEMBL29134399

SCHEMBL29134399

N#CC1CC1c1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.58
HTR2A P28223 5/20 0.50
HTR2C P28335 5/20 0.50
HTR2B P41595 5/20 0.50
HRH3 Q9Y5N1 5/20 0.37
EGFR P00533 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RCOR1 Q9UKL0 1/20 0.36
GRIN2A Q12879 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL29134397 1.00 KDM1A (0.58) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL30016116 1.00 KDM1A (0.58) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL31171269 0.80 KDM1A (0.47) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL31171238 0.80 KDM1A (0.47) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL5310780 0.77 KDM1A (0.52) KDM1AHTR2CHTR2BL3MBTL1RCOR1
SCHEMBL5450245 0.77 MAOB (0.48) KDM1AHTR2AHTR2CHTR2BRCOR1
SCHEMBL22849948 0.75 KDM1A (0.49) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL20187237 0.73 KDM1A (1.00) KDM1AHTR2AHTR2CHTR2BRCOR1
SCHEMBL8329871 0.73 KDM1A (0.66) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL15096161 0.73 KDM1A (1.00) KDM1AHTR2AHTR2CHTR2BRCOR1

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-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed