SCHEMBL31077708

SCHEMBL31077708

CN(C)C(=O)C(=O)c1c[nH]c2c(F)cc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GPR84 Q9NQS5 1/20 0.44
MAPK14 Q16539 5/20 0.37
KMT2A Q03164 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
HTT P42858 1/20 0.35
AR P10275 1/20 0.34
PCSK9 Q8NBP7 2/20 0.33
KDM4E B2RXH2 1/20 0.33
APOL1 O14791 3/20 0.32
HTR6 P50406 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL25748906 1.00 ALDH1A1 (0.49) ALDH1A1LMNAGPR84MAPK14KMT2A
SCHEMBL29206539 0.86 ALDH1A1 (0.45) ALDH1A1LMNAGPR84MAPK14KMT2A
SCHEMBL30877820 0.86 ALDH1A1 (0.45) ALDH1A1LMNAGPR84MAPK14KMT2A
SCHEMBL30877836 0.80 ALDH1A1 (0.43) ALDH1A1LMNAGPR84APOL1POLB
SCHEMBL30877835 0.80 ALDH1A1 (0.43) ALDH1A1LMNAGPR84APOL1POLB
SCHEMBL29206503 0.80 ALDH1A1 (0.43) ALDH1A1LMNAGPR84APOL1POLB
SCHEMBL25424025 0.80 ALDH1A1 (0.49) ALDH1A1LMNAGPR84CES2CES1
SCHEMBL31077733 0.80 ALDH1A1 (0.49) ALDH1A1LMNAGPR84CES2CES1
SCHEMBL14555755 0.79 ALDH1A1 (0.49) ALDH1A1LMNAGPR84CES2CES1
SCHEMBL2576855 0.79 ALDH1A1 (0.54) ALDH1A1LMNAGPR84KMT2ACES2

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-118715204-A Compounds of formula (I) 普赛洛私人有限公司 2024-09-27 CN disclosed