SCHEMBL31013116

SCHEMBL31013116

CCCCCCCCCCCCCc1c[nH]nc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
LIPG Q9Y5X9 1/20 0.38
KCNH2 Q12809 1/20 0.37
ALOX5 P09917 4/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS2 P35354 3/20 0.37
GPR84 Q9NQS5 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
TYMP P19971 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 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
SCHEMBL27378739 0.98 TYR (0.37) TYRLIPGKCNH2ALOX5MAPT
SCHEMBL3645470 0.92 HRH3 (0.34) TYRHTTHCAR2TYMP
SCHEMBL21310404 0.84
SCHEMBL28300226 0.81 LIPG (0.38) TYRLIPGKCNH2ALOX5MAPT
SCHEMBL27671187 0.81 LIPG (0.38) TYRLIPGKCNH2ALOX5MAPT
SCHEMBL28300224 0.81 LIPG (0.38) TYRLIPGKCNH2ALOX5MAPT
Bromide SCHEMBL28162693 0.79 LIPG (0.37) TYRLIPGKCNH2ALOX5MAPT
Bromide SCHEMBL28162683 0.79 LIPG (0.37) TYRLIPGKCNH2ALOX5MAPT
Bromide SCHEMBL28162087 0.79 LIPG (0.37) TYRLIPGKCNH2ALOX5MAPT
SCHEMBL370841 0.78 TDP1 (0.35) TYRLIPGKCNH2ALOX5MAPT

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-119490500-A PRMT5 inhibitor, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2025-02-21 CN disclosed
CN-112203653-B Compounds for the treatment of huntington's disease PTC医疗公司 2024-08-16 CN disclosed