SCHEMBL29131027

SCHEMBL29131027

CCS(=O)(=O)c1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.42
RECQL P46063 1/20 0.41
LOX P28300 1/20 0.41
LOXL3 P58215 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 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
SCHEMBL27506153 0.87 ITGB1 (0.39) RECQLLOXLOXL3LOXL2MAPT
SCHEMBL30700822 0.80 PTGS2 (0.46) RECQLLOXLOXL3LOXL2NR1H2
SCHEMBL6883165 0.80 PTGS2 (0.46) RECQLLOXLOXL3LOXL2NR1H2
SCHEMBL28944676 0.80 RECQL (0.33) RECQLLOXLOXL3LOXL2MAPT
SCHEMBL724036 0.79 TDP1 (0.46) RECQLLOXLOXL3LOXL2SMARCA2
SCHEMBL17645943 0.79 MAPT (0.59) GAAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL11883706 0.79 PNMT (0.41) RECQLLOXLOXL3LOXL2MAPT
SCHEMBL26308907 0.78 UHRF1 (0.45) PSIP1GAAMAPTNR1H2NR1H3
SCHEMBL15390838 0.77 PTGS2 (0.38) RECQLLOXLOXL3LOXL2SMARCA2
SCHEMBL2241153 0.76 CA1 (0.47) RECQLLOXLOXL3LOXL2

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-117069724-A Fused ring compounds, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-17 CN disclosed